Disentanglement of constituent factors of a sensory signal is central to perception and cognition and hence is a critical task for future artificial intelligence systems. In this paper, we present a compute engine capable of efficiently factorizing holographic perceptual representations by exploiting the computation-in-superposition capability of brain-inspired hyperdimensional computing and the intrinsic stochasticity associated with analog in-memory computing based on nanoscale memristive devices. Such an iterative in-memory factorizer is shown to solve at least five orders of magnitude larger problems that cannot be solved otherwise, while also significantly lowering the computational time and space complexity. We present a large-scale experimental demonstration of the factorizer by employing two in-memory compute chips based on phase-change memristive devices. The dominant matrix-vector multiply operations are executed at O(1) thus reducing the computational time complexity to merely the number of iterations. Moreover, we experimentally demonstrate the ability to factorize visual perceptual representations reliably and efficiently.  ( 2 min )

A classical result in learning theory shows the equivalence of PAC learnability of binary hypothesis classes and the finiteness of VC dimension. Extending this to the multiclass setting was an open problem, which was settled in a recent breakthrough result characterizing multiclass PAC learnability via the DS dimension introduced earlier by Daniely and Shalev-Shwartz. In this work we consider list PAC learning where the goal is to output a list of $k$ predictions. List learning algorithms have been developed in several settings before and indeed, list learning played an important role in the recent characterization of multiclass learnability. In this work we ask: when is it possible to $k$-list learn a hypothesis class? We completely characterize $k$-list learnability in terms of a generalization of DS dimension that we call the $k$-DS dimension. Generalizing the recent characterization of multiclass learnability, we show that a hypothesis class is $k$-list learnable if and only if the $k$-DS dimension is finite.  ( 2 min )

Audio Spectrogram Transformer models rule the field of Audio Tagging, outrunning previously dominating Convolutional Neural Networks (CNNs). Their superiority is based on the ability to scale up and exploit large-scale datasets such as AudioSet. However, Transformers are demanding in terms of model size and computational requirements compared to CNNs. We propose a training procedure for efficient CNNs based on offline Knowledge Distillation (KD) from high-performing yet complex transformers. The proposed training schema and the efficient CNN design based on MobileNetV3 results in models outperforming previous solutions in terms of parameter and computational efficiency and prediction performance. We provide models of different complexity levels, scaling from low-complexity models up to a new state-of-the-art performance of .483 mAP on AudioSet. Source Code available at: https://github.com/fschmid56/EfficientAT  ( 2 min )

Email threat is a serious issue for enterprise security. The threat can be in various malicious forms, such as phishing, fraud, blackmail and malvertisement. The traditional anti-spam gateway often maintains a greylist to filter out unexpected emails based on suspicious vocabularies present in the email's subject and contents. However, this type of signature-based approach cannot effectively discover novel and unknown suspicious emails that utilize various evolving malicious payloads. To address the problem, in this paper, we present Holmes, an efficient and lightweight semantic based engine for anomalous email detection. Holmes can convert each email event log into a sentence through word embedding and then identify abnormalities that deviate from a historical baseline based on those translated sentences. We have evaluated the performance of Holmes in a real-world enterprise environment, where around 5,000 emails are sent/received each day. In our experiments, Holmes shows a high capability to detect email threats, especially those that cannot be handled by the enterprise anti-spam gateway. It is also demonstrated through our experiment that Holmes can discover more concealed malicious emails that are immune from several commercial detection tools.  ( 3 min )

In this paper, we study the tradeoffs between the time speedup and the round complexity in the collaborative learning model with non-IID data, where multiple agents interact with possibly different environments and they want to learn an objective in the aggregated environment. We use a basic problem in bandit theory called best arm identification in multi-armed bandits as a vehicle to deliver the following conceptual message: collaborative learning on non-IID data is provably more difficult than that on IID data. In particular, we show the following: 1) Learning time speedup in the non-IID data setting can be much smaller than $1$ (that is, a slowdown). When the number of rounds $R = O(1)$, we will need at least a polynomial number of agents (in terms of the number of arms) to achieve a speedup $\tilde{\Omega}(1)$. This is in stark contrast to the IID data setting, where the speedup is always $\tilde{\Omega}(1)$ regardless of $R$ and the number of agents $K$. 2) Local adaptivity of the agents cannot help much in the non-IID data setting. This is in contrast with the IID data setting, in which to achieve the same speedup, the best non-adaptive algorithm requires a significantly larger number of rounds than the best adaptive algorithm.

This paper presents miCSE, a mutual information-based Contrastive learning framework that significantly advances the state-of-the-art in few-shot sentence embedding. The proposed approach imposes alignment between the attention pattern of different views during contrastive learning. Learning sentence embeddings with miCSE entails enforcing the syntactic consistency across augmented views for every single sentence, making contrastive self-supervised learning more sample efficient. As a result, the proposed approach shows strong performance in the few-shot learning domain. While it achieves superior results compared to state-of-the-art methods on multiple benchmarks in few-shot learning, it is comparable in the full-shot scenario. The proposed approach is conceptually simple, easy to implement and optimize, yet empirically powerful. This study opens up avenues for efficient self-supervised learning methods that are more robust than current contrastive methods for sentence embedding.

The US Census Bureau will deliberately corrupt data sets derived from the 2020 US Census in an effort to maintain privacy, suggesting a painful trade-off between the privacy of respondents and the precision of economic analysis. To investigate whether this trade-off is inevitable, we formulate a semiparametric model of causal inference with high dimensional corrupted data. We propose a procedure for data cleaning, estimation, and inference with data cleaning-adjusted confidence intervals. We prove consistency, Gaussian approximation, and semiparametric efficiency by finite sample arguments, with a rate of $n^{-1/2}$ for semiparametric estimands that degrades gracefully for nonparametric estimands. Our key assumption is that the true covariates are approximately low rank, which we interpret as approximate repeated measurements and validate in the Census. In our analysis, we provide nonasymptotic theoretical contributions to matrix completion, statistical learning, and semiparametric statistics. Calibrated simulations verify the coverage of our data cleaning-adjusted confidence intervals and demonstrate the relevance of our results for 2020 Census data.  ( 2 min )

Current methods for image-to-image translation produce compelling results, however, the applied transformation is difficult to control, since existing mechanisms are often limited and non-intuitive. We propose ParGAN, a generalization of the cycle-consistent GAN framework to learn image transformations with simple and intuitive controls. The proposed generator takes as input both an image and a parametrization of the transformation. We train this network to preserve the content of the input image while ensuring that the result is consistent with the given parametrization. Our approach does not require paired data and can learn transformations across several tasks and datasets. We show how, with disjoint image domains with no annotated parametrization, our framework can create smooth interpolations as well as learn multiple transformations simultaneously.  ( 2 min )

Model based reinforcement learning (MBRL) uses an imperfect model of the world to imagine trajectories of future states and plan the best actions that maximize a given reward. These trajectories are imperfect and MBRL attempts to overcome this by relying on model predictive control (MPC) to continuously re-imagine trajectories from scratch. Such re-generation of imagined trajectories carries the major computational cost and increasing complexity in tasks with longer receding horizon. We investigate how far in the future the imagined trajectories can be relied upon while still maintaining acceptable reward. After taking each action, information becomes available about its immediate effect and its impact on outcomes expected of future actions. Hereby, we propose four methods for deciding whether to trust and act upon imagined trajectories: i) looking at recent errors with respect to expectations, ii) comparing the confidence in an action imagined against its execution, iii) observing the deviation in projected future states iv) observing the deviation in projected future rewards. An experiment analyzing the effects of acting upon imagination shows that our methods reduce computation by at least 20\% and up to 80\%, depending on the environment, while retaining acceptable reward.

We propose Characteristic-Neural Ordinary Differential Equations (C-NODEs), a framework for extending Neural Ordinary Differential Equations (NODEs) beyond ODEs. While NODEs model the evolution of a latent variables as the solution to an ODE, C-NODE models the evolution of the latent variables as the solution of a family of first-order quasi-linear partial differential equations (PDEs) along curves on which the PDEs reduce to ODEs, referred to as characteristic curves. This in turn allows the application of the standard frameworks for solving ODEs, namely the adjoint method. Learning optimal characteristic curves for given tasks improves the performance and computational efficiency, compared to state of the art NODE models. We prove that the C-NODE framework extends the classical NODE on classification tasks by demonstrating explicit C-NODE representable functions not expressible by NODEs. Additionally, we present C-NODE-based continuous normalizing flows, which describe the density evolution of latent variables along multiple dimensions. Empirical results demonstrate the improvements provided by the proposed method for classification and density estimation on CIFAR-10, SVHN, and MNIST datasets under a similar computational budget as the existing NODE methods. The results also provide empirical evidence that the learned curves improve the efficiency of the system through a lower number of parameters and function evaluations compared with baselines.

Agent-based modeling (ABM) is a well-established paradigm for simulating complex systems via interactions between constituent entities. Machine learning (ML) refers to approaches whereby statistical algorithms 'learn' from data on their own, without imposing a priori theories of system behavior. Biological systems -- from molecules, to cells, to entire organisms -- consist of vast numbers of entities, governed by complex webs of interactions that span many spatiotemporal scales and exhibit nonlinearity, stochasticity and intricate coupling between entities. The macroscopic properties and collective dynamics of such systems are difficult to capture via continuum modelling and mean-field formalisms. ABM takes a 'bottom-up' approach that obviates these difficulties by enabling one to easily propose and test a set of well-defined 'rules' to be applied to the individual entities (agents) in a system. Evaluating a system and propagating its state over discrete time-steps effectively simulates the system, allowing observables to be computed and system properties to be analyzed. Because the rules that govern an ABM can be difficult to abstract and formulate from experimental data, there is an opportunity to use ML to help infer optimal, system-specific ABM rules. Once such rule-sets are devised, ABM calculations can generate a wealth of data, and ML can be applied there too -- e.g., to probe statistical measures that meaningfully describe a system's stochastic properties. As an example of synergy in the other direction (from ABM to ML), ABM simulations can generate realistic datasets for training ML algorithms (e.g., for regularization, to mitigate overfitting). In these ways, one can envision various synergistic ABM$\rightleftharpoons$ML loops. This review summarizes how ABM and ML have been integrated in contexts that span spatiotemporal scales, from cellular to population-level epidemiology.

Fairness-aware mining of massive data streams is a growing and challenging concern in the contemporary domain of machine learning. Many stream learning algorithms are used to replace humans at critical decision-making points e.g., hiring staff, assessing credit risk, etc. This calls for handling massive incoming information with minimum response delay while ensuring fair and high quality decisions. Recent discrimination-aware learning methods are optimized based on overall accuracy. However, the overall accuracy is biased in favor of the majority class; therefore, state-of-the-art methods mainly diminish discrimination by partially or completely ignoring the minority class. In this context, we propose a novel adaptation of Na\"ive Bayes to mitigate discrimination embedded in the streams while maintaining high predictive performance for both the majority and minority classes. Our proposed algorithm is simple, fast, and attains multi-objective optimization goals. To handle class imbalance and concept drifts, a dynamic instance weighting module is proposed, which gives more importance to recent instances and less importance to obsolete instances based on their membership in minority or majority class. We conducted experiments on a range of streaming and static datasets and deduced that our proposed methodology outperforms existing state-of-the-art fairness-aware methods in terms of both discrimination score and balanced accuracy.

The Transformer is an extremely powerful and prominent deep learning architecture. In this work, we challenge the commonly held belief in deep learning that going deeper is better, and show an alternative design approach that is building wider attention Transformers. We demonstrate that wide single layer Transformer models can compete with or outperform deeper ones in a variety of Natural Language Processing (NLP) tasks when both are trained from scratch. The impact of changing the model aspect ratio on Transformers is then studied systematically. This ratio balances the number of layers and the number of attention heads per layer while keeping the total number of attention heads and all other hyperparameters constant. On average, across 4 NLP tasks and 10 attention types, single layer wide models perform 0.3% better than their deep counterparts. We show an in-depth evaluation and demonstrate how wide models require a far smaller memory footprint and can run faster on commodity hardware, in addition, these wider models are also more interpretable. For example, a single layer Transformer on the IMDb byte level text classification has 3.1x faster inference latency on a CPU than its equally accurate deeper counterpart, and is half the size. We therefore put forward wider and shallower models as a viable and desirable alternative for small models on NLP tasks, and as an important area of research for domains beyond this.

Governments, industry, and academia have undertaken efforts to identify and mitigate harms in ML-driven systems, with a particular focus on social and ethical risks of ML components in complex sociotechnical systems. However, existing approaches are largely disjointed, ad-hoc and of unknown effectiveness. Systems safety engineering is a well established discipline with a track record of identifying and managing risks in many complex sociotechnical domains. We adopt the natural hypothesis that tools from this domain could serve to enhance risk analyses of ML in its context of use. To test this hypothesis, we apply a "best of breed" systems safety analysis, Systems Theoretic Process Analysis (STPA), to a specific high-consequence system with an important ML-driven component, namely the Prescription Drug Monitoring Programs (PDMPs) operated by many US States, several of which rely on an ML-derived risk score. We focus in particular on how this analysis can extend to identifying social and ethical risks and developing concrete design-level controls to mitigate them.

Neural density estimators have proven remarkably powerful in performing efficient simulation-based Bayesian inference in various research domains. In particular, the BayesFlow framework uses a two-step approach to enable amortized parameter estimation in settings where the likelihood function is implicitly defined by a simulation program. But how faithful is such inference when simulations are poor representations of reality? In this paper, we conceptualize the types of model misspecification arising in simulation-based inference and systematically investigate the performance of the BayesFlow framework under these misspecifications. We propose an augmented optimization objective which imposes a probabilistic structure on the latent data space and utilize maximum mean discrepancy (MMD) to detect potentially catastrophic misspecifications during inference undermining the validity of the obtained results. We verify our detection criterion on a number of artificial and realistic misspecifications, ranging from toy conjugate models to complex models of decision making and disease outbreak dynamics applied to real data. Further, we show that posterior inference errors increase as a function of the distance between the true data-generating distribution and the typical set of simulations in the latent summary space. Thus, we demonstrate the dual utility of MMD as a method for detecting model misspecification and as a proxy for verifying the faithfulness of amortized Bayesian inference.

We focus on bridging domain discrepancy in lane detection among different scenarios to greatly reduce extra annotation and re-training costs for autonomous driving. Critical factors hinder the performance improvement of cross-domain lane detection that conventional methods only focus on pixel-wise loss while ignoring shape and position priors of lanes. To address the issue, we propose the Multi-level Domain Adaptation (MLDA) framework, a new perspective to handle cross-domain lane detection at three complementary semantic levels of pixel, instance and category. Specifically, at pixel level, we propose to apply cross-class confidence constraints in self-training to tackle the imbalanced confidence distribution of lane and background. At instance level, we go beyond pixels to treat segmented lanes as instances and facilitate discriminative features in target domain with triplet learning, which effectively rebuilds the semantic context of lanes and contributes to alleviating the feature confusion. At category level, we propose an adaptive inter-domain embedding module to utilize the position prior of lanes during adaptation. In two challenging datasets, ie TuSimple and CULane, our approach improves lane detection performance by a large margin with gains of 8.8% on accuracy and 7.4% on F1-score respectively, compared with state-of-the-art domain adaptation algorithms.

We study stochastic optimization algorithms for constrained nonconvex stochastic optimization problems with Markovian data. In particular, we focus on the case when the transition kernel of the Markov chain is state-dependent. Such stochastic optimization problems arise in various machine learning problems including strategic classification and reinforcement learning. For this problem, we study both projection-based and projection-free algorithms. In both cases, we establish that the number of calls to the stochastic first-order oracle to obtain an appropriately defined $\epsilon$-stationary point is of the order $\mathcal{O}(1/\epsilon^{2.5})$. In the projection-free setting we additionally establish that the number of calls to the linear minimization oracle is of order $\mathcal{O}(1/\epsilon^{5.5})$. We also empirically demonstrate the performance of our algorithm on the problem of strategic classification with neural networks.

In this paper we demonstrate that reservoir computing can be used to learn the dynamics of the shallow-water equations. In particular, while most previous applications of reservoir computing have required training on a particular trajectory to further predict the evolution along that trajectory alone, we show the capability of reservoir computing to predict trajectories of the shallow-water equations with initial conditions not seen in the training process. However, in this setting, we find that the performance of the network deteriorates for initial conditions with ambient conditions (such as total water height and average velocity) that are different from those in the training dataset. To circumvent this deficiency, we introduce a transfer learning approach wherein a small additional training step with the relevant ambient conditions is used to improve the predictions.

Geosteering of wells requires fast interpretation of geophysical logs, which is a non-unique inverse problem. Current work presents a proof-of-concept approach to multi-modal probabilistic inversion of logs using a single evaluation of an artificial deep neural network (DNN). A mixture density DNN (MDN) is trained using the "multiple-trajectory-prediction" (MTP) loss functions, which avoids mode collapse typical for traditional MDNs, and allows multi-modal prediction ahead of data. The proposed approach is verified on the real-time stratigraphic inversion of gamma-ray logs. The multi-modal predictor outputs several likely inverse solutions/predictions, providing more accurate and realistic solutions than a deterministic regression using a DNN. For these likely stratigraphic curves, the model simultaneously predicts their probabilities, which are implicitly learned from the training geological data. The stratigraphy predictions and their probabilities obtained in milliseconds from the MDN can enable better real-time decisions under geological uncertainties.

Decision-Focused Learning (DFL) is a paradigm for tailoring a predictive model to a downstream optimization task that uses its predictions in order to perform better on that specific task. The main technical challenge associated with DFL is that it requires being able to differentiate through the optimization problem, which is difficult due to discontinuous solutions and other challenges. Past work has largely gotten around this issue by handcrafting task-specific surrogates to the original optimization problem that provide informative gradients when differentiated through. However, the need to handcraft surrogates for each new task limits the usability of DFL. In addition, there are often no guarantees about the convexity of the resulting surrogates and, as a result, training a predictive model using them can lead to inferior local optima. In this paper, we do away with surrogates altogether and instead learn loss functions that capture task-specific information. To the best of our knowledge, ours is the first approach that entirely replaces the optimization component of decision-focused learning with a loss that is automatically learned. Our approach (a) only requires access to a black-box oracle that can solve the optimization problem and is thus generalizable, and (b) can be convex by construction and so can be easily optimized over. We evaluate our approach on three resource allocation problems from the literature and find that our approach outperforms learning without taking into account task structure in all three domains, and even hand-crafted surrogates from the literature.

We consider stochastic gradient descents on the space of large symmetric matrices of suitable functions that are invariant under permuting the rows and columns using the same permutation. We establish deterministic limits of these random curves as the dimensions of the matrices go to infinity while the entries remain bounded. Under a "small noise" assumption the limit is shown to be the gradient flow of functions on graphons whose existence was established in arXiv:2111.09459. We also consider limits of stochastic gradient descents with added properly scaled reflected Brownian noise. The limiting curve of graphons is characterized by a family of stochastic differential equations with reflections and can be thought of as an extension of the classical McKean-Vlasov limit for interacting diffusions. The proofs introduce a family of infinite-dimensional exchangeable arrays of reflected diffusions and a novel notion of propagation of chaos for large matrices of interacting diffusions.

When the unknown regression function of a single variable is known to have derivatives up to the $(\gamma+1)$th order bounded in absolute values by a common constant everywhere or a.e., the classical minimax optimal rate of the mean integrated squared error (MISE) $\left(\frac{1}{n}\right)^{\frac{2\gamma+2}{2\gamma+3}}$ leads one to conclude that, as $\gamma$ gets larger, the rate gets closer to $\frac{1}{n}$. This paper shows that: (i) if $n\leq\left(\gamma+1\right)^{2\gamma+3}$, the minimax optimal MISE rate is roughly $\frac{\log n}{n}$ and the optimal degree of smoothness to exploit is roughly $\left\lceil \frac{\log n}{2}\right\rceil -2$; (ii) if $n>\left(\gamma+1\right)^{2\gamma+3}$, the minimax optimal MISE rate is $\left(\frac{1}{n}\right)^{\frac{2\gamma+2}{2\gamma+3}}$ and the optimal degree of smoothness to exploit is $\gamma+1$. The building blocks of our minimax optimality results are a set of metric entropy bounds we develop in this paper for smooth function classes. Some of our bounds are original, and some of them improve and/or generalize the ones in the literature. Our metric entropy bounds allow us to explore the minimax optimal MISE rates associated with some commonly seen smoothness classes and also several non-standard smoothness classes, and can also be of independent interest even if one does not care about the nonparametric regressions.

We study two-layer neural networks whose domain and range are Banach spaces with separable preduals. In addition, we assume that the image space is equipped with a partial order, i.e. it is a Riesz space. As the nonlinearity we choose the lattice operation of taking the positive part; in case of $\mathbb R^d$-valued neural networks this corresponds to the ReLU activation function. We prove inverse and direct approximation theorems with Monte-Carlo rates for a certain class of functions, extending existing results for the finite-dimensional case. In the second part of the paper, we study, from the regularisation theory viewpoint, the problem of finding optimal representations of such functions via signed measures on a latent space from a finite number of noisy observations. We discuss regularity conditions known as source conditions and obtain convergence rates in a Bregman distance for the representing measure in the regime when both the noise level goes to zero and the number of samples goes to infinity at appropriate rates.

We study the smooth minimax optimization problem $\min_{\bf x}\max_{\bf y} f({\bf x},{\bf y})$, where $f$ is $\ell$-smooth, strongly-concave in ${\bf y}$ but possibly nonconvex in ${\bf x}$. Most of existing works focus on finding the first-order stationary points of the function $f({\bf x},{\bf y})$ or its primal function $P({\bf x})\triangleq \max_{\bf y} f({\bf x},{\bf y})$, but few of them focus on achieving second-order stationary points. In this paper, we propose a novel approach for minimax optimization, called Minimax Cubic Newton (MCN), which could find an $\big(\varepsilon,\kappa^{1.5}\sqrt{\rho\varepsilon}\,\big)$-second-order stationary point of $P({\bf x})$ with calling ${\mathcal O}\big(\kappa^{1.5}\sqrt{\rho}\varepsilon^{-1.5}\big)$ times of second-order oracles and $\tilde{\mathcal O}\big(\kappa^{2}\sqrt{\rho}\varepsilon^{-1.5}\big)$ times of first-order oracles, where $\kappa$ is the condition number and $\rho$ is the Lipschitz continuous constant for the Hessian of $f({\bf x},{\bf y})$. In addition, we propose an inexact variant of MCN for high-dimensional problems to avoid calling expensive second-order oracles. Instead, our method solves the cubic sub-problem inexactly via gradient descent and matrix Chebyshev expansion. This strategy still obtains the desired approximate second-order stationary point with high probability but only requires $\tilde{\mathcal O}\big(\kappa^{1.5}\ell\varepsilon^{-2}\big)$ Hessian-vector oracle calls and $\tilde{\mathcal O}\big(\kappa^{2}\sqrt{\rho}\varepsilon^{-1.5}\big)$ first-order oracle calls. To the best of our knowledge, this is the first work that considers the non-asymptotic convergence behavior of finding second-order stationary points for minimax problems without the convex-concave assumptions.

We take a systematic look at the problem of storing whole files in a cache with limited capacity in the context of optimistic learning, where the caching policy has access to a prediction oracle (provided by, e.g., a Neural Network). The successive file requests are assumed to be generated by an adversary, and no assumption is made on the accuracy of the oracle. In this setting, we provide a universal lower bound for prediction-assisted online caching and proceed to design a suite of policies with a range of performance-complexity trade-offs. All proposed policies offer sublinear regret bounds commensurate with the accuracy of the oracle. Our results substantially improve upon all recently-proposed online caching policies, which, being unable to exploit the oracle predictions, offer only $O(\sqrt{T})$ regret. In this pursuit, we design, to the best of our knowledge, the first comprehensive optimistic Follow-the-Perturbed leader policy, which generalizes beyond the caching problem. We also study the problem of caching files with different sizes and the bipartite network caching problem. Finally, we evaluate the efficacy of the proposed policies through extensive numerical experiments using real-world traces.

Due to the increasing trend of performing spamming activities (e.g., Web spam, deceptive reviews, fake followers, etc.) on various online platforms to gain undeserved benefits, spam detection has emerged as a hot research issue. Previous attempts to combat spam mainly employ features related to metadata, user behaviors, or relational ties. These works have made considerable progress in understanding and filtering spamming campaigns. However, this problem remains far from fully solved. Almost all the proposed features focus on a limited number of observed attributes or explainable phenomena, making it difficult for existing methods to achieve further improvement. To broaden the vision about solving the spam problem and address long-standing challenges (class imbalance and graph incompleteness) in the spam detection area, we propose a new attempt of utilizing signed latent factors to filter fraudulent activities. The spam-contaminated relational datasets of multiple online applications in this scenario are interpreted by the unified signed network. Two competitive and highly dissimilar algorithms of latent factors mining (LFM) models are designed based on multi-relational likelihoods estimation (LFM-MRLE) and signed pairwise ranking (LFM-SPR), respectively. We then explore how to apply the mined latent factors to spam detection tasks. Experiments on real-world datasets of different kinds of Web applications (social media and Web forum) indicate that LFM models outperform state-of-the-art baselines in detecting spamming activities. By specifically manipulating experimental data, the effectiveness of our methods in dealing with incomplete and imbalanced challenges is valida

Vision Transformer (ViT) has emerged as a competitive alternative to convolutional neural networks for various computer vision applications. Specifically, ViT multi-head attention layers make it possible to embed information globally across the overall image. Nevertheless, computing and storing such attention matrices incurs a quadratic cost dependency on the number of patches, limiting its achievable efficiency and scalability and prohibiting more extensive real-world ViT applications on resource-constrained devices. Sparse attention has been shown to be a promising direction for improving hardware acceleration efficiency for NLP models. However, a systematic counterpart approach is still missing for accelerating ViT models. To close the above gap, we propose a first-of-its-kind algorithm-hardware codesigned framework, dubbed ViTALiTy, for boosting the inference efficiency of ViTs. Unlike sparsity-based Transformer accelerators for NLP, ViTALiTy unifies both low-rank and sparse components of the attention in ViTs. At the algorithm level, we approximate the dot-product softmax operation via first-order Taylor attention with row-mean centering as the low-rank component to linearize the cost of attention blocks and further boost the accuracy by incorporating a sparsity-based regularization. At the hardware level, we develop a dedicated accelerator to better leverage the resulting workload and pipeline from ViTALiTy's linear Taylor attention which requires the execution of only the low-rank component, to further boost the hardware efficiency. Extensive experiments and ablation studies validate that ViTALiTy offers boosted end-to-end efficiency (e.g., $3\times$ faster and $3\times$ energy-efficient) under comparable accuracy, with respect to the state-of-the-art solution.

Recent years have witnessed great success in handling graph-related tasks with Graph Neural Networks (GNNs). Despite their great academic success, Multi-Layer Perceptrons (MLPs) remain the primary workhorse for practical industrial applications. One reason for this academic-industrial gap is the neighborhood-fetching latency incurred by data dependency in GNNs, which make it hard to deploy for latency-sensitive applications that require fast inference. Conversely, without involving any feature aggregation, MLPs have no data dependency and infer much faster than GNNs, but their performance is less competitive. Motivated by these complementary strengths and weaknesses, we propose a Graph Self-Distillation on Neighborhood (GSDN) framework to reduce the gap between GNNs and MLPs. Specifically, the GSDN framework is based purely on MLPs, where structural information is only implicitly used as prior to guide knowledge self-distillation between the neighborhood and the target, substituting the explicit neighborhood information propagation as in GNNs. As a result, GSDN enjoys the benefits of graph topology-awareness in training but has no data dependency in inference. Extensive experiments have shown that the performance of vanilla MLPs can be greatly improved with self-distillation, e.g., GSDN improves over stand-alone MLPs by 15.54\% on average and outperforms the state-of-the-art GNNs on six datasets. Regarding inference speed, GSDN infers 75X-89X faster than existing GNNs and 16X-25X faster than other inference acceleration methods.

Current natural language processing (NLP) models such as BERT and RoBERTa have achieved high overall performance, but they often make systematic errors due to bias or certain difficult features to learn. Thus research on slice detection models (SDM) which automatically identifies underperforming groups of datapoints has gradually caught more attention, which aims at both understanding model behaviors and providing insights for future model training and designing. However, there is little systematic research on SDM and quantitative evaluation of its assessment for NLP models. Our paper fills this gap by proposing "Discover, Explanation, Improvement" framework that discovers coherent and underperforming groups of datapoints and unites datapoints of each slice under human-understandable concepts; it also provides comprehensive evaluation tasks and the corresponding quantitative metrics, which enable convenient comparison for future works. Results show that our framework can accurately select error-prone datapoints with informative semantic features that summarize error patterns, based on which it directly boosts model performance by an average of 2.85 points based on trained models without tuning any parameters across multiple datasets.

In this short technical note we propose a baseline for decision-aware learning for contextual linear optimization, which solves stochastic linear optimization when cost coefficients can be predicted based on context information. We propose a decision-aware version of predict-then-optimize. We reweigh the prediction error by the decision regret incurred by an (unweighted) pilot estimator of costs to obtain a decision-aware predictor, then optimize with cost predictions from the decision-aware predictor. This method can be motivated as a finite-difference, iterate-independent approximation of the gradients of previously proposed end-to-end learning algorithms; it is also consistent with previously suggested intuition for end-to-end learning. This baseline is computationally easy to implement with readily available reweighted prediction oracles and linear optimization, and can be implemented with convex optimization so long as the prediction error minimization is convex. Empirically, we demonstrate that this approach can lead to improvements over a "predict-then-optimize" framework for settings with misspecified models, and is competitive with other end-to-end approaches. Therefore, due to its simplicity and ease of use, we suggest it as a simple baseline for end-to-end and decision-aware learning.

Identifying novel drug-target interactions (DTI) is a critical and rate limiting step in drug discovery. While deep learning models have been proposed to accelerate the identification process, we show that state-of-the-art models fail to generalize to novel (i.e., never-before-seen) structures. We first unveil the mechanisms responsible for this shortcoming, demonstrating how models rely on shortcuts that leverage the topology of the protein-ligand bipartite network, rather than learning the node features. Then, we introduce AI-Bind, a pipeline that combines network-based sampling strategies with unsupervised pre-training, allowing us to limit the annotation imbalance and improve binding predictions for novel proteins and ligands. We illustrate the value of AI-Bind by predicting drugs and natural compounds with binding affinity to SARS-CoV-2 viral proteins and the associated human proteins. We also validate these predictions via docking simulations and comparison with recent experimental evidence, and step up the process of interpreting machine learning prediction of protein-ligand binding by identifying potential active binding sites on the amino acid sequence. Overall, AI-Bind offers a powerful high-throughput approach to identify drug-target combinations, with the potential of becoming a powerful tool in drug discovery.

The goal of model compression is to reduce the size of a large neural network while retaining a comparable performance. As a result, computation and memory costs in resource-limited applications may be significantly reduced by dropping redundant weights, neurons, or layers. There have been many model compression algorithms proposed that provide impressive empirical success. However, a theoretical understanding of model compression is still limited. One problem is understanding if a network is more compressible than another of the same structure. Another problem is quantifying how much one can prune a network with theoretically guaranteed accuracy degradation. In this work, we propose to use the sparsity-sensitive $\ell_q$-norm ($0<q<1$) to characterize compressibility and provide a relationship between soft sparsity of the weights in the network and the degree of compression with a controlled accuracy degradation bound. We also develop adaptive algorithms for pruning each neuron in the network informed by our theory. Numerical studies demonstrate the promising performance of the proposed methods compared with standard pruning algorithms.

Robots operating in human environments must be able to rearrange objects into semantically-meaningful configurations, even if these objects are previously unseen. In this work, we focus on the problem of building physically-valid structures without step-by-step instructions. We propose StructDiffusion, which combines a diffusion model and an object-centric transformer to construct structures out of a single RGB-D image based on high-level language goals, such as "set the table." Our method shows how diffusion models can be used for complex multi-step 3D planning tasks. StructDiffusion improves success rate on assembling physically-valid structures out of unseen objects by on average 16% over an existing multi-modal transformer model, while allowing us to use one multi-task model to produce a wider range of different structures. We show experiments on held-out objects in both simulation and on real-world rearrangement tasks. For videos and additional results, check out our website: this http URL

To date, the best-performing blind super-resolution (SR) techniques follow one of two paradigms: A) generate and train a standard SR network on synthetic low-resolution - high-resolution (LR - HR) pairs or B) attempt to predict the degradations an LR image has suffered and use these to inform a customised SR network. Despite significant progress, subscribers to the former miss out on useful degradation information that could be used to improve the SR process. On the other hand, followers of the latter rely on weaker SR networks, which are significantly outperformed by the latest architectural advancements. In this work, we present a framework for combining any blind SR prediction mechanism with any deep SR network, using a metadata insertion block to insert prediction vectors into SR network feature maps. Through comprehensive testing, we prove that state-of-the-art contrastive and iterative prediction schemes can be successfully combined with high-performance SR networks such as RCAN and HAN within our framework. We show that our hybrid models consistently achieve stronger SR performance than both their non-blind and blind counterparts. Furthermore, we demonstrate our framework's robustness by predicting degradations and super-resolving images from a complex pipeline of blurring, noise and compression.

A population-level analysis is proposed to address data sparsity when building predictive models for engineering infrastructure. Utilising an interpretable hierarchical Bayesian approach and operational fleet data, domain expertise is naturally encoded (and appropriately shared) between different sub-groups, representing (i) use-type, (ii) component, or (iii) operating condition. Specifically, domain expertise is exploited to constrain the model via assumptions (and prior distributions) allowing the methodology to automatically share information between similar assets, improving the survival analysis of a truck fleet and power prediction in a wind farm. In each asset management example, a set of correlated functions is learnt over the fleet, in a combined inference, to learn a population model. Parameter estimation is improved when sub-fleets share correlated information at different levels of the hierarchy. In turn, groups with incomplete data automatically borrow statistical strength from those that are data-rich. The statistical correlations enable knowledge transfer via Bayesian transfer learning, and the correlations can be inspected to inform which assets share information for which effect (i.e. parameter). Both case studies demonstrate the wide applicability to practical infrastructure monitoring, since the approach is naturally adapted between interpretable fleet models of different in situ examples.

The first large-scale deployment of private federated learning uses differentially private counting in the continual release model as a subroutine (Google AI blog titled "Federated Learning with Formal Differential Privacy Guarantees"). In this case, a concrete bound on the error is very relevant to reduce the privacy parameter. The standard mechanism for continual counting is the binary mechanism. We present a novel mechanism and show that its mean squared error is both asymptotically optimal and a factor 10 smaller than the error of the binary mechanism. We also show that the constants in our analysis are almost tight by giving non-asymptotic lower and upper bounds that differ only in the constants of lower-order terms. Our algorithm is a matrix mechanism for the counting matrix and takes constant time per release. We also use our explicit factorization of the counting matrix to give an upper bound on the excess risk of the private learning algorithm of Denisov et al. (NeurIPS 2022). Our lower bound for any continual counting mechanism is the first tight lower bound on continual counting under approximate differential privacy. It is achieved using a new lower bound on a certain factorization norm, denoted by $\gamma_F(\cdot)$, in terms of the singular values of the matrix. In particular, we show that for any complex matrix, $A \in \mathbb{C}^{m \times n}$, \[ \gamma_F(A) \geq \frac{1}{\sqrt{m}}\|A\|_1, \] where $\|\cdot \|$ denotes the Schatten-1 norm. We believe this technique will be useful in proving lower bounds for a larger class of linear queries. To illustrate the power of this technique, we show the first lower bound on the mean squared error for answering parity queries.

Designing profitable and reliable trading strategies is challenging in the highly volatile cryptocurrency market. Existing works applied deep reinforcement learning methods and optimistically reported increased profits in backtesting, which may suffer from the \textit{false positive} issue due to overfitting. In this paper, we propose a practical approach to address backtest overfitting for cryptocurrency trading using deep reinforcement learning. First, we formulate the detection of backtest overfitting as a hypothesis test. Then, we train the DRL agents, estimate the probability of overfitting, and reject the overfitted agents, increasing the chance of good trading performance. Finally, on 10 cryptocurrencies over a testing period from 05/01/2022 to 06/27/2022 (during which the crypto market \textbf{crashed two times}), we show that the less overfitted deep reinforcement learning agents have a higher return than that of more overfitted agents, an equal weight strategy, and the S\&P DBM Index (market benchmark), offering confidence in possible deployment to a real market.

In this paper, we build on advances introduced by the Deep Q-Networks (DQN) approach to extend the multi-objective tabular Reinforcement Learning (RL) algorithm W-learning to large state spaces. W-learning algorithm can naturally solve the competition between multiple single policies in multi-objective environments. However, the tabular version does not scale well to environments with large state spaces. To address this issue, we replace underlying Q-tables with DQN, and propose an addition of W-Networks, as a replacement for tabular weights (W) representations. We evaluate the resulting Deep W-Networks (DWN) approach in two widely-accepted multi-objective RL benchmarks: deep sea treasure and multi-objective mountain car. We show that DWN solves the competition between multiple policies while outperforming the baseline in the form of a DQN solution. Additionally, we demonstrate that the proposed algorithm can find the Pareto front in both tested environments.

In the past years, artificial neural networks (ANNs) have become the de-facto standard to solve tasks in communications engineering that are difficult to solve with traditional methods. In parallel, the artificial intelligence community drives its research to biology-inspired, brain-like spiking neural networks (SNNs), which promise extremely energy-efficient computing. In this paper, we investigate the use of SNNs in the context of channel equalization for ultra-low complexity receivers. We propose an SNN-based equalizer with a feedback structure akin to the decision feedback equalizer (DFE). For conversion of real-world data into spike signals we introduce a novel ternary encoding and compare it with traditional log-scale encoding. We show that our approach clearly outperforms conventional linear equalizers for three different exemplary channels. We highlight that mainly the conversion of the channel output to spikes introduces a small performance penalty. The proposed SNN with a decision feedback structure enables the path to competitive energy-efficient transceivers.  ( 2 min )

Ionic Liquids (ILs) provide a promising solution for CO$_2$ capture and storage to mitigate global warming. However, identifying and designing the high-capacity IL from the giant chemical space requires expensive, and exhaustive simulations and experiments. Machine learning (ML) can accelerate the process of searching for desirable ionic molecules through accurate and efficient property predictions in a data-driven manner. But existing descriptors and ML models for the ionic molecule suffer from the inefficient adaptation of molecular graph structure. Besides, few works have investigated the explainability of ML models to help understand the learned features that can guide the design of efficient ionic molecules. In this work, we develop both fingerprint-based ML models and Graph Neural Networks (GNNs) to predict the CO$_2$ absorption in ILs. Fingerprint works on graph structure at the feature extraction stage, while GNNs directly handle molecule structure in both the feature extraction and model prediction stage. We show that our method outperforms previous ML models by reaching a high accuracy (MAE of 0.0137, $R^2$ of 0.9884). Furthermore, we take the advantage of GNNs feature representation and develop a substructure-based explanation method that provides insight into how each chemical fragments within IL molecules contribute to the CO$_2$ absorption prediction of ML models. We also show that our explanation result agrees with some ground truth from the theoretical reaction mechanism of CO$_2$ absorption in ILs, which can advise on the design of novel and efficient functional ILs in the future.

We present a static analysis for discovering differentiable or more generally smooth parts of a given probabilistic program, and show how the analysis can be used to improve the pathwise gradient estimator, one of the most popular methods for posterior inference and model learning. Our improvement increases the scope of the estimator from differentiable models to non-differentiable ones without requiring manual intervention of the user; the improved estimator automatically identifies differentiable parts of a given probabilistic program using our static analysis, and applies the pathwise gradient estimator to the identified parts while using a more general but less efficient estimator, called score estimator, for the rest of the program. Our analysis has a surprisingly subtle soundness argument, partly due to the misbehaviours of some target smoothness properties when viewed from the perspective of program analysis designers. For instance, some smoothness properties are not preserved by function composition, and this makes it difficult to analyse sequential composition soundly without heavily sacrificing precision. We formulate five assumptions on a target smoothness property, prove the soundness of our analysis under those assumptions, and show that our leading examples satisfy these assumptions. We also show that by using information from our analysis instantiated for differentiability, our improved gradient estimator satisfies an important differentiability requirement and thus computes the correct estimate on average (i.e., returns an unbiased estimate) under a regularity condition. Our experiments with representative probabilistic programs in the Pyro language show that our static analysis is capable of identifying smooth parts of those programs accurately, and making our improved pathwise gradient estimator exploit all the opportunities for high performance in those programs.

Supervised classification methods have been widely utilized for the quality assurance of the advanced manufacturing process, such as additive manufacturing (AM) for anomaly (defects) detection. However, since abnormal states (with defects) occur much less frequently than normal ones (without defects) in the manufacturing process, the number of sensor data samples collected from a normal state outweighs that from an abnormal state. This issue causes imbalanced training data for classification models, thus deteriorating the performance of detecting abnormal states in the process. It is beneficial to generate effective artificial sample data for the abnormal states to make a more balanced training set. To achieve this goal, this paper proposes a novel data augmentation method based on a generative adversarial network (GAN) using additive manufacturing process image sensor data. The novelty of our approach is that a standard GAN and classifier are jointly optimized with techniques to stabilize the learning process of standard GAN. The diverse and high-quality generated samples provide balanced training data to the classifier. The iterative optimization between GAN and classifier provides the high-performance classifier. The effectiveness of the proposed method is validated by both open-source data and real-world case studies in polymer and metal AM processes.

Offline reinforcement-learning (RL) algorithms learn to make decisions using a given, fixed training dataset without the possibility of additional online data collection. This problem setting is captivating because it holds the promise of utilizing previously collected datasets without any costly or risky interaction with the environment. However, this promise also bears the drawback of this setting. The restricted dataset induces subjective uncertainty because the agent can encounter unfamiliar sequences of states and actions that the training data did not cover. Moreover, inherent system stochasticity further increases uncertainty and aggravates the offline RL problem, preventing the agent from learning an optimal policy. To mitigate the destructive uncertainty effects, we need to balance the aspiration to take reward-maximizing actions with the incurred risk due to incorrect ones. In financial economics, modern portfolio theory (MPT) is a method that risk-averse investors can use to construct diversified portfolios that maximize their returns without unacceptable levels of risk. We integrate MPT into the agent's decision-making process to present a simple-yet-highly-effective risk-aware planning algorithm for offline RL. Our algorithm allows us to systematically account for the \emph{estimated quality} of specific actions and their \emph{estimated risk} due to the uncertainty. We show that our approach can be coupled with the Transformer architecture to yield a state-of-the-art planner for offline RL tasks, maximizing the return while significantly reducing the variance.

Deep learning (DL) methods have been widely applied to anomaly-based network intrusion detection system (NIDS) to detect malicious traffic. To expand the usage scenarios of DL-based methods, the federated learning (FL) framework allows multiple users to train a global model on the basis of respecting individual data privacy. However, it has not yet been systematically evaluated how robust FL-based NIDSs are against existing privacy attacks under existing defenses. To address this issue, we propose two privacy evaluation metrics designed for FL-based NIDSs, including (1) privacy score that evaluates the similarity between the original and recovered traffic features using reconstruction attacks, and (2) evasion rate against NIDSs using Generative Adversarial Network-based adversarial attack with the reconstructed benign traffic. We conduct experiments to show that existing defenses provide little protection that the corresponding adversarial traffic can even evade the SOTA NIDS Kitsune. To defend against such attacks and build a more robust FL-based NIDS, we further propose FedDef, a novel optimization-based input perturbation defense strategy with theoretical guarantee. It achieves both high utility by minimizing the gradient distance and strong privacy protection by maximizing the input distance. We experimentally evaluate four existing defenses on four datasets and show that our defense outperforms all the baselines in terms of privacy protection with up to 7 times higher privacy score, while maintaining model accuracy loss within 3% under optimal parameter combination.

Graphons are general and powerful models for generating graphs of varying size. In this paper, we propose to directly model graphons using neural networks, obtaining Implicit Graphon Neural Representation (IGNR). Existing work in modeling and reconstructing graphons often approximates a target graphon by a fixed resolution piece-wise constant representation. Our IGNR has the benefit that it can represent graphons up to arbitrary resolutions, and enables natural and efficient generation of arbitrary sized graphs with desired structure once the model is learned. Furthermore, we allow the input graph data to be unaligned and have different sizes by leveraging the Gromov-Wasserstein distance. We first demonstrate the effectiveness of our model by showing its superior performance on a graphon learning task. We then propose an extension of IGNR that can be incorporated into an auto-encoder framework, and demonstrate its good performance under a more general setting of graphon learning. We also show that our model is suitable for graph representation learning and graph generation.

User-generated-content (UGC) videos have dominated the Internet during recent years. While many methods attempt to objectively assess the quality of these UGC videos, the mechanisms of human quality perception in the UGC-VQA problem is still yet to be explored. To better explain the quality perception mechanisms and learn more robust representations, we aim to disentangle the effects of aesthetic quality issues and technical quality issues risen by the complicated video generation processes in the UGC-VQA problem. To overcome the absence of respective supervisions during disentanglement, we propose the Limited View Biased Supervisions (LVBS) scheme where two separate evaluators are trained with decomposed views specifically designed for each issue. Composed of an Aesthetic Quality Evaluator (AQE) and a Technical Quality Evaluator (TQE) under the LVBS scheme, the proposed Disentangled Objective Video Quality Evaluator (DOVER) reach excellent performance (0.91 SRCC for KoNViD-1k, 0.89 SRCC for LSVQ, 0.88 SRCC for YouTube-UGC) in the UGC-VQA problem. More importantly, our blind subjective studies prove that the separate evaluators in DOVER can effectively match human perception on respective disentangled quality issues. Codes and demos are released in https://github.com/teowu/dover.  ( 2 min )

We present a robust framework to perform linear regression with missing entries in the features. By considering an elliptical data distribution, and specifically a multivariate normal model, we are able to conditionally formulate a distribution for the missing entries and present a robust framework, which minimizes the worst case error caused by the uncertainty about the missing data. We show that the proposed formulation, which naturally takes into account the dependency between different variables, ultimately reduces to a convex program, for which a customized and scalable solver can be delivered. In addition to a detailed analysis to deliver such solver, we also asymptoticly analyze the behavior of the proposed framework, and present technical discussions to estimate the required input parameters. We complement our analysis with experiments performed on synthetic, semi-synthetic, and real data, and show how the proposed formulation improves the prediction accuracy and robustness, and outperforms the competing techniques. Missing data is a common problem associated with many datasets in machine learning. With the significant increase in using robust optimization techniques to train machine learning models, this paper presents a novel robust regression framework that operates by minimizing the uncertainty associated with missing data. The proposed approach allows training models with incomplete data, while minimizing the impact of uncertainty associated with the unavailable data. The ideas developed in this paper can be generalized beyond linear models and elliptical data distributions.

This letter explains an algorithm for finding a set of base functions. The method aims to capture the leading behavior of the dataset in terms of a few base functions. Implementation of the A-star search will help find these functions, while the gradient descent optimizes the parameters of the functions at each search step. We will show the resulting plots to compare the extrapolation with the unseen data.

Research in Curriculum Learning has shown better performance on the task by optimizing the sequence of the training data. Recent works have focused on using complex reinforcement learning techniques to find the optimal data ordering strategy to maximize learning for a given network. In this paper, we present a simple yet efficient technique based on continuous optimization trained with auto-encoding procedure. We call this new approach Training Sequence Optimization (TSO). With a usual encoder-decoder setup we try to learn the latent space continuous representation of the training strategy and a predictor network is used on the continuous representation to predict the accuracy of the strategy on the fixed network architecture. The performance predictor and encoder enable us to perform gradient-based optimization by gradually moving towards the latent space representation of training data ordering with potentially better accuracy. We show an empirical gain of 2AP with our generated optimal curriculum strategy over the random strategy using the CIFAR-100 and CIFAR-10 datasets and have better boosts than the existing state-of-the-art CL algorithms.

Predicting metro passenger flow precisely is of great importance for dynamic traffic planning. Deep learning algorithms have been widely applied due to their robust performance in modelling non-linear systems. However, traditional deep learning algorithms completely discard the inherent graph structure within the metro system. Graph-based deep learning algorithms could utilise the graph structure but raise a few challenges, such as how to determine the weights of the edges and the shallow receptive field caused by the over-smoothing issue. To further improve these challenges, this study proposes a model based on GraphSAGE with an edge weights learner applied. The edge weights learner utilises socially meaningful features to generate edge weights. Hypergraph and temporal exploitation modules are also constructed as add-ons for better performance. A comparison study is conducted on the proposed algorithm and other state-of-art graph neural networks, where the proposed algorithm could improve the performance.

We introduce a challenging decision-making task that we call active acquisition for multimodal temporal data (A2MT). In many real-world scenarios, input features are not readily available at test time and must instead be acquired at significant cost. With A2MT, we aim to learn agents that actively select which modalities of an input to acquire, trading off acquisition cost and predictive performance. A2MT extends a previous task called active feature acquisition to temporal decision making about high-dimensional inputs. Further, we propose a method based on the Perceiver IO architecture to address A2MT in practice. Our agents are able to solve a novel synthetic scenario requiring practically relevant cross-modal reasoning skills. On two large-scale, real-world datasets, Kinetics-700 and AudioSet, our agents successfully learn cost-reactive acquisition behavior. However, an ablation reveals they are unable to learn to learn adaptive acquisition strategies, emphasizing the difficulty of the task even for state-of-the-art models. Applications of A2MT may be impactful in domains like medicine, robotics, or finance, where modalities differ in acquisition cost and informativeness.

Machine learning frameworks such as Genetic Programming (GP) and Reinforcement Learning (RL) are gaining popularity in flow control. This work presents a comparative analysis of the two, bench-marking some of their most representative algorithms against global optimization techniques such as Bayesian Optimization (BO) and Lipschitz global optimization (LIPO). First, we review the general framework of the model-free control problem, bringing together all methods as black-box optimization problems. Then, we test the control algorithms on three test cases. These are (1) the stabilization of a nonlinear dynamical system featuring frequency cross-talk, (2) the wave cancellation from a Burgers' flow and (3) the drag reduction in a cylinder wake flow. We present a comprehensive comparison to illustrate their differences in exploration versus exploitation and their balance between `model capacity' in the control law definition versus `required complexity'. We believe that such a comparison paves the way toward the hybridization of the various methods, and we offer some perspective on their future development in the literature on flow control problems.  ( 2 min )

Motivated by neural network training in low-bit floating and fixed-point environments, this work studies the convergence of variants of SGD with computational error. Considering a general stochastic Lipschitz continuous loss function, a novel convergence result to a Clarke stationary point is presented assuming that only an approximation of its stochastic gradient can be computed as well as error in computing the SGD step itself. Different variants of SGD are then tested empirically in a variety of low-precision arithmetic environments, with improved test set accuracy achieved compared to SGD for two image recognition tasks.

Text-conditioned image generation models have recently achieved astonishing results in image quality and text alignment and are consequently employed in a fast-growing number of applications. Since they are highly data-driven, relying on billion-sized datasets randomly scraped from the internet, they also suffer, as we demonstrate, from degenerated and biased human behavior. In turn, they may even reinforce such biases. To help combat these undesired side effects, we present safe latent diffusion (SLD). Specifically, to measure the inappropriate degeneration due to unfiltered and imbalanced training sets, we establish a novel image generation test bed-inappropriate image prompts (I2P)-containing dedicated, real-world image-to-text prompts covering concepts such as nudity and violence. As our exhaustive empirical evaluation demonstrates, the introduced SLD removes and suppresses inappropriate image parts during the diffusion process, with no additional training required and no adverse effect on overall image quality or text alignment.

Online reinforcement learning is concerned with training an agent on-the-fly via dynamic interaction with the environment. Here, due to the specifics of the application, it is not generally possible to perform long pre-training, as it is commonly done in off-line, model-free approaches, which are akin to dynamic programming. Such applications may be found more frequently in industry, rather than in pure digital fields, such as cloud services, video games, database management, etc., where reinforcement learning has been demonstrating success. Online reinforcement learning, in contrast, is more akin to classical control, which utilizes some model knowledge about the environment. Stability of the closed-loop (agent plus the environment) is a major challenge for such online approaches. In this paper, we tackle this problem by a special fusion of online reinforcement learning with elements of classical control, namely, based on the Lyapunov theory of stability. The idea is to start the agent at once, without pre-training, and learn approximately optimal policy under specially designed constraints, which guarantee stability. The resulting approach was tested in an extensive experimental study with a mobile robot. A nominal parking controller was used as a baseline. It was observed that the suggested agent could always successfully park the robot, while significantly improving the cost. While many approaches may be exploited for mobile robot control, we suggest that the experiments showed the promising potential of online reinforcement learning agents based on Lyapunov-like constraints. The presented methodology may be utilized in safety-critical, industrial applications where stability is necessary.

The continuous increase in global population and the impact of climate change on crop production are expected to affect the food sector significantly. In this context, there is need for timely, large-scale and precise mapping of crops for evidence-based decision making. A key enabler towards this direction are new satellite missions that freely offer big remote sensing data of high spatio-temporal resolution and global coverage. During the previous decade and because of this surge of big Earth observations, deep learning methods have dominated the remote sensing and crop mapping literature. Nevertheless, deep learning models require large amounts of annotated data that are scarce and hard-to-acquire. To address this problem, transfer learning methods can be used to exploit available annotations and enable crop mapping for other regions, crop types and years of inspection. In this work, we have developed and trained a deep learning model for paddy rice detection in South Korea using Sentinel-1 VH time-series. We then fine-tune the model for i) paddy rice detection in France and Spain and ii) barley detection in the Netherlands. Additionally, we propose a modification in the pre-trained weights in order to incorporate extra input features (Sentinel-1 VV). Our approach shows excellent performance when transferring in different areas for the same crop type and rather promising results when transferring in a different area and crop type.

We study the problem of efficient generative inference for Transformer models, in one of its most challenging settings: large deep models, with tight latency targets and long sequence lengths. Better understanding of the engineering tradeoffs for inference for large Transformer-based models is important as use cases of these models are growing rapidly throughout application areas. We develop a simple analytical model for inference efficiency to select the best multi-dimensional partitioning techniques optimized for TPU v4 slices based on the application requirements. We combine these with a suite of low-level optimizations to achieve a new Pareto frontier on the latency and model FLOPS utilization (MFU) tradeoffs on 500B+ parameter models that outperforms the FasterTransformer suite of benchmarks. We further show that with appropriate partitioning, the lower memory requirements of multiquery attention (i.e. multiple query heads share single key/value head) enables scaling up to 32x larger context lengths. Finally, we achieve a low-batch-size latency of 29ms per token during generation (using int8 weight quantization) and a 76% MFU during large-batch-size processing of input tokens, while supporting a long 2048-token context length on the PaLM 540B parameter model.

Federated Learning (FL) enables the training of Deep Learning models without centrally collecting possibly sensitive raw data. This paves the way for stronger privacy guarantees when building predictive models. The most used algorithms for FL are parameter-averaging based schemes (e.g., Federated Averaging) that, however, have well known limits: (i) Clients must implement the same model architecture; (ii) Transmitting model weights and model updates implies high communication cost, which scales up with the number of model parameters; (iii) In presence of non-IID data distributions, parameter-averaging aggregation schemes perform poorly due to client model drifts. Federated adaptations of regular Knowledge Distillation (KD) can solve and/or mitigate the weaknesses of parameter-averaging FL algorithms while possibly introducing other trade-offs. In this article, we provide a review of KD-based algorithms tailored for specific FL issues.

Virtual, make-on-demand chemical libraries have transformed early-stage drug discovery by unlocking vast, synthetically accessible regions of chemical space. Recent years have witnessed rapid growth in these libraries from millions to trillions of compounds, hiding undiscovered, potent hits for a variety of therapeutic targets. However, they are quickly approaching a size beyond that which permits explicit enumeration, presenting new challenges for virtual screening. To overcome these challenges, we propose the Combinatorial Synthesis Library Variational Auto-Encoder (CSLVAE). The proposed generative model represents such libraries as a differentiable, hierarchically-organized database. Given a compound from the library, the molecular encoder constructs a query for retrieval, which is utilized by the molecular decoder to reconstruct the compound by first decoding its chemical reaction and subsequently decoding its reactants. Our design minimizes autoregression in the decoder, facilitating the generation of large, valid molecular graphs. Our method performs fast and parallel batch inference for ultra-large synthesis libraries, enabling a number of important applications in early-stage drug discovery. Compounds proposed by our method are guaranteed to be in the library, and thus synthetically and cost-effectively accessible. Importantly, CSLVAE can encode out-of-library compounds and search for in-library analogues. In experiments, we demonstrate the capabilities of the proposed method in the navigation of massive combinatorial synthesis libraries.

Predicting the presence of major depressive disorder (MDD) using behavioural and cognitive signals is a highly non-trivial task. The heterogeneous clinical profile of MDD means that any given speech, facial expression and/or observed cognitive pattern may be associated with a unique combination of depressive symptoms. Conventional discriminative machine learning models potentially lack the complexity to robustly model this heterogeneity. Bayesian networks, however, may instead be well-suited to such a scenario. These networks are probabilistic graphical models that efficiently describe the joint probability distribution over a set of random variables by explicitly capturing their conditional dependencies. This framework provides further advantages over standard discriminative modelling by offering the possibility to incorporate expert opinion in the graphical structure of the models, generating explainable model predictions, informing about the uncertainty of predictions, and naturally handling missing data. In this study, we apply a Bayesian framework to capture the relationships between depression, depression symptoms, and features derived from speech, facial expression and cognitive game data collected at thymia.  ( 2 min )

Studying animal movements is essential for effective wildlife conservation and conflict mitigation. For aerial movements, operational weather radars have become an indispensable data source in this respect. However, partial measurements, incomplete spatial coverage, and poor understanding of animal behaviours make it difficult to reconstruct complete spatio-temporal movement patterns from available radar data. We tackle this inverse problem by learning a mapping from high-dimensional radar measurements to low-dimensional latent representations using a convolutional encoder. Under the assumption that the latent system dynamics are well approximated by a locally linear Gaussian transition model, we perform efficient posterior estimation using the classical Kalman smoother. A convolutional decoder maps the inferred latent system states back to the physical space in which the known radar observation model can be applied, enabling fully unsupervised training. To encourage physical consistency, we additionally introduce a physics-informed loss term that leverages known mass conservation constraints. Our experiments on synthetic radar data show promising results in terms of reconstruction quality and data-efficiency.  ( 2 min )

Streets networks provide an invaluable source of information about the different temporal and spatial patterns emerging in our cities. These streets are often represented as graphs where intersections are modelled as nodes and streets as links between them. Previous work has shown that raster representations of the original data can be created through a learning algorithm on low-dimensional representations of the street networks. In contrast, models that capture high-level urban network metrics can be trained through convolutional neural networks. However, the detailed topological data is lost through the rasterisation of the street network. The models cannot recover this information from the image alone, failing to capture complex street network features. This paper proposes a model capable of inferring good representations directly from the street network. Specifically, we use a variational autoencoder with graph convolutional layers and a decoder that outputs a probabilistic fully-connected graph to learn latent representations that encode both local network structure and the spatial distribution of nodes. We train the model on thousands of street network segments and use the learnt representations to generate synthetic street configurations. Finally, we proposed a possible application to classify the urban morphology of different network segments by investigating their common characteristics in the learnt space.  ( 2 min )

A major concern of Machine Learning (ML) models is their opacity. They are deployed in an increasing number of applications where they often operate as black boxes that do not provide explanations for their predictions. Among others, the potential harms associated with the lack of understanding of the models' rationales include privacy violations, adversarial manipulations, and unfair discrimination. As a result, the accountability and transparency of ML models have been posed as critical desiderata by works in policy and law, philosophy, and computer science. In computer science, the decision-making process of ML models has been studied by developing accountability and transparency methods. Accountability methods, such as adversarial attacks and diagnostic datasets, expose vulnerabilities of ML models that could lead to malicious manipulations or systematic faults in their predictions. Transparency methods explain the rationales behind models' predictions gaining the trust of relevant stakeholders and potentially uncovering mistakes and unfairness in models' decisions. To this end, transparency methods have to meet accountability requirements as well, e.g., being robust and faithful to the underlying rationales of a model. This thesis presents my research that expands our collective knowledge in the areas of accountability and transparency of ML models developed for complex reasoning tasks over text.

The stochastic block model (SBM) is a fundamental model for studying graph clustering or community detection in networks. It has received great attention in the last decade and the balanced case, i.e., assuming all clusters have large size, has been well studied. However, our understanding of SBM with unbalanced communities (arguably, more relevant in practice) is still very limited. In this paper, we provide a simple SVD-based algorithm for recovering the communities in the SBM with communities of varying sizes. We improve upon a result of Ailon, Chen and Xu [ICML 2013] by removing the assumption that there is a large interval such that the sizes of clusters do not fall in. Under the planted clique conjecture, the size of the clusters that can be recovered by our algorithm is nearly optimal (up to polylogarithmic factors) when the probability parameters are constant. As a byproduct, we obtain a polynomial-time algorithm with sublinear query complexity for a clustering problem with a faulty oracle, which finds all clusters of size larger than $\tilde{\Omega}({\sqrt{n}})$ even if $\Omega(n)$ small clusters co-exist in the graph. In contrast, all the previous efficient algorithms that makes sublinear number of queries cannot recover any large cluster, if there are more than $\tilde{\Omega}(n^{2/5})$ small clusters.

Reproducing Kernel Hilbert spaces (RKHS) have been a very successful tool in various areas of machine learning. Recently, Barron spaces have been used to proof bounds on the generalisation error for neural networks. Unfortunately, Barron spaces cannot be understood in terms of RKHS due to the strong nonlinear coupling of the weights. We show that this can be solved by using the more general Reproducing Kernel Banach spaces (RKBS). This class of integral RKBS can be understood as an infinite union of RKHS spaces. As the RKBS is not a Hilbert space, it is not its own dual space. However, we show that its dual space is again an RKBS where the roles of the data and parameters are interchanged, forming an adjoint pair of RKBSs including a reproducing property in the dual space. This allows us to construct the saddle point problem for neural networks, which can be used in whole field of primal-dual optimisation techniques.

A growing number of Machine Learning Frameworks recently made Deep Learning accessible to a wider audience of engineers, scientists, and practitioners, by allowing straightforward use of complex neural network architectures and algorithms. However, since deep learning is rapidly evolving, not only through theoretical advancements but also with respect to hardware and software engineering, ML frameworks often lose backward compatibility and introduce technical debt that can lead to bottlenecks and sub-optimal resource utilization. Moreover, the focus is in most cases not on deep learning engineering, but rather on new models and theoretical advancements. In this work, however, we focus on engineering, more specifically on the data loading pipeline in the PyTorch Framework. We designed a series of benchmarks that outline performance issues of certain steps in the data loading process. Our findings show that for classification tasks that involve loading many files, like images, the training wall-time can be significantly improved. With our new, modified ConcurrentDataloader we can reach improvements in GPU utilization and significantly reduce batch loading time, up to 12X. This allows for the use of the cloud-based, S3-like object storage for datasets, and have comparable training time as if datasets are stored on local drives.

Two central paradigms have emerged in the reinforcement learning (RL) community: online RL and offline RL. In the online RL setting, the agent has no prior knowledge of the environment, and must interact with it in order to find an $\epsilon$-optimal policy. In the offline RL setting, the learner instead has access to a fixed dataset to learn from, but is unable to otherwise interact with the environment, and must obtain the best policy it can from this offline data. Practical scenarios often motivate an intermediate setting: if we have some set of offline data and, in addition, may also interact with the environment, how can we best use the offline data to minimize the number of online interactions necessary to learn an $\epsilon$-optimal policy? In this work, we consider this setting, which we call the \textsf{FineTuneRL} setting, for MDPs with linear structure. We characterize the necessary number of online samples needed in this setting given access to some offline dataset, and develop an algorithm, \textsc{FTPedel}, which is provably optimal. We show through an explicit example that combining offline data with online interactions can lead to a provable improvement over either purely offline or purely online RL. Finally, our results illustrate the distinction between \emph{verifiable} learning, the typical setting considered in online RL, and \emph{unverifiable} learning, the setting often considered in offline RL, and show that there is a formal separation between these regimes.

Dyadic and small group collaboration is an evolutionary advantageous behaviour and the need for such collaboration is a regular occurrence in day to day life. In this paper we estimate the perceived personality traits of individuals in dyadic and small groups over thin-slices of interaction on four multimodal datasets. We find that our transformer based predictive model performs similarly to human annotators tasked with predicting the perceived big-five personality traits of participants. Using this model we analyse the estimated perceived personality traits of individuals performing tasks in small groups and dyads. Permutation analysis shows that in the case of small groups undergoing collaborative tasks, the perceived personality of group members clusters, this is also observed for dyads in a collaborative problem solving task, but not in dyads under non-collaborative task settings. Additionally, we find that the group level average perceived personality traits provide a better predictor of group performance than the group level average self-reported personality traits.

The demonstrated success of transfer learning has popularized approaches that involve pretraining models from massive data sources and subsequent finetuning towards a specific task. While such approaches have become the norm in fields such as natural language processing, implementation and evaluation of transfer learning approaches for chemistry are in the early stages. In this work, we demonstrate finetuning for downstream tasks on a graph neural network (GNN) trained over a molecular database containing 2.7 million water clusters. The use of Graphcore IPUs as an AI accelerator for training molecular GNNs reduces training time from a reported 2.7 days on 0.5M clusters to 1.2 hours on 2.7M clusters. Finetuning the pretrained model for downstream tasks of molecular dynamics and transfer to a different potential energy surface took only 8.3 hours and 28 minutes, respectively, on a single GPU.

We propose a) a Language Agnostic end-to-end Speech Translation model (LAST), and b) a data augmentation strategy to increase code-switching (CS) performance. With increasing globalization, multiple languages are increasingly used interchangeably during fluent speech. Such CS complicates traditional speech recognition and translation, as we must recognize which language was spoken first and then apply a language-dependent recognizer and subsequent translation component to generate the desired target language output. Such a pipeline introduces latency and errors. In this paper, we eliminate the need for that, by treating speech recognition and translation as one unified end-to-end speech translation problem. By training LAST with both input languages, we decode speech into one target language, regardless of the input language. LAST delivers comparable recognition and speech translation accuracy in monolingual usage, while reducing latency and error rate considerably when CS is observed.  ( 2 min )

Safe reinforcement learning (RL) studies problems where an intelligent agent has to not only maximize reward but also avoid exploring unsafe areas. In this study, we propose CUP, a novel policy optimization method based on Constrained Update Projection framework that enjoys rigorous safety guarantee. Central to our CUP development is the newly proposed surrogate functions along with the performance bound. Compared to previous safe RL methods, CUP enjoys the benefits of 1) CUP generalizes the surrogate functions to generalized advantage estimator (GAE), leading to strong empirical performance. 2) CUP unifies performance bounds, providing a better understanding and interpretability for some existing algorithms; 3) CUP provides a non-convex implementation via only first-order optimizers, which does not require any strong approximation on the convexity of the objectives. To validate our CUP method, we compared CUP against a comprehensive list of safe RL baselines on a wide range of tasks. Experiments show the effectiveness of CUP both in terms of reward and safety constraint satisfaction. We have opened the source code of CUP at this link https://github.com/zmsn-2077/ CUP-safe-rl.

In this article, we use artificial intelligence algorithms to show how to enhance the resolution of the elementary particle track fitting in inhomogeneous dense detectors, such as plastic scintillators. We use deep learning to replace more traditional Bayesian filtering methods, drastically improving the reconstruction of the interacting particle kinematics. We show that a specific form of neural network, inherited from the field of natural language processing, is very close to the concept of a Bayesian filter that adopts a hyper-informative prior. Such a paradigm change can influence the design of future particle physics experiments and their data exploitation.

This paper presents a novel positive and negative set selection strategy for contrastive learning of medical images based on labels that can be extracted from clinical data. In the medical field, there exists a variety of labels for data that serve different purposes at different stages of a diagnostic and treatment process. Clinical labels and biomarker labels are two examples. In general, clinical labels are easier to obtain in larger quantities because they are regularly collected during routine clinical care, while biomarker labels require expert analysis and interpretation to obtain. Within the field of ophthalmology, previous work has shown that clinical values exhibit correlations with biomarker structures that manifest within optical coherence tomography (OCT) scans. We exploit this relationship between clinical and biomarker data to improve performance for biomarker classification. This is accomplished by leveraging the larger amount of clinical data as pseudo-labels for our data without biomarker labels in order to choose positive and negative instances for training a backbone network with a supervised contrastive loss. In this way, a backbone network learns a representation space that aligns with the clinical data distribution available. Afterwards, we fine-tune the network trained in this manner with the smaller amount of biomarker labeled data with a cross-entropy loss in order to classify these key indicators of disease directly from OCT scans. Our method is shown to outperform state of the art self-supervised methods by as much as 5% in terms of accuracy on individual biomarker detection.  ( 3 min )

The fashion industry is one of the most active and competitive markets in the world, manufacturing millions of products and reaching large audiences every year. A plethora of business processes are involved in this large-scale industry, but due to the generally short life-cycle of clothing items, supply-chain management and retailing strategies are crucial for good market performance. Correctly understanding the wants and needs of clients, managing logistic issues and marketing the correct products are high-level problems with a lot of uncertainty associated to them given the number of influencing factors, but most importantly due to the unpredictability often associated with the future. It is therefore straightforward that forecasting methods, which generate predictions of the future, are indispensable in order to ameliorate all the various business processes that deal with the true purpose and meaning of fashion: having a lot of people wear a particular product or style, rendering these items, people and consequently brands fashionable. In this paper, we provide an overview of three concrete forecasting tasks that any fashion company can apply in order to improve their industrial and market impact. We underline advances and issues in all three tasks and argue about their importance and the impact they can have at an industrial level. Finally, we highlight issues and directions of future work, reflecting on how learning-based forecasting methods can further aid the fashion industry.

We propose an algorithm for learning a conditional generative model of a molecule given a target. Specifically, given a receptor molecule that one wishes to bind to, the conditional model generates candidate ligand molecules that may bind to it. The distribution should be invariant to rigid body transformations that act $\textit{jointly}$ on the ligand and the receptor; it should also be invariant to permutations of either the ligand or receptor atoms. Our learning algorithm is based on a continuous normalizing flow. We establish semi-equivariance conditions on the flow which guarantee the aforementioned invariance conditions on the conditional distribution. We propose a graph neural network architecture which implements this flow, and which is designed to learn effectively despite the vast differences in size between the ligand and receptor. We evaluate our method on the CrossDocked2020 dataset, attaining a significant improvement in binding affinity over competing methods.

Quantum-enhanced data science, also known as quantum machine learning (QML), is of growing interest as an application of near-term quantum computers. Variational QML algorithms have the potential to solve practical problems on real hardware, particularly when involving quantum data. However, training these algorithms can be challenging and calls for tailored optimization procedures. Specifically, QML applications can require a large shot-count overhead due to the large datasets involved. In this work, we advocate for simultaneous random sampling over both the dataset as well as the measurement operators that define the loss function. We consider a highly general loss function that encompasses many QML applications, and we show how to construct an unbiased estimator of its gradient. This allows us to propose a shot-frugal gradient descent optimizer called Refoqus (REsource Frugal Optimizer for QUantum Stochastic gradient descent). Our numerics indicate that Refoqus can save several orders of magnitude in shot cost, even relative to optimizers that sample over measurement operators alone.

Machine-Learned Likelihoods (MLL) is a method that, by combining modern machine-learning classification techniques with likelihood-based inference tests, allows to estimate the experimental sensitivity of high-dimensional data sets. We extend the MLL method by including the exclusion hypothesis tests and show that the addition of Kernel Density Estimators avoids the need to bin the classifier output in order to extract the resulting one-dimensional signal and background probability density functions. We first test our method on toy models generated with multivariate Gaussian distributions, where the true probability distribution functions are known. We then apply it to a case of interest in the search for new physics at the HL-LHC, in which a $Z^\prime$ boson decays into lepton pairs, comparing the performance of our method for estimating 95\% CL exclusion limits to the results obtained applying a binned likelihood to the machine-learning classifier output.

Predictive simulations of the shock-to-detonation transition (SDT) in heterogeneous energetic materials (EM) are vital to the design and control of their energy release and sensitivity. Due to the complexity of the thermo-mechanics of EM during the SDT, both macro-scale response and sub-grid mesoscale energy localization must be captured accurately. This work proposes an efficient and accurate multiscale framework for SDT simulations of EM. We employ deep learning to model the mesoscale energy localization of shock-initiated EM microstructures upon which prediction results are used to supply reaction progress rate information to the macroscale SDT simulation. The proposed multiscale modeling framework is divided into two stages. First, a physics-aware recurrent convolutional neural network (PARC) is used to model the mesoscale energy localization of shock-initiated heterogeneous EM microstructures. PARC is trained using direct numerical simulations (DNS) of hotspot ignition and growth within microstructures of pressed HMX material subjected to different input shock strengths. After training, PARC is employed to supply hotspot ignition and growth rates for macroscale SDT simulations. We show that PARC can play the role of a surrogate model in a multiscale simulation framework, while drastically reducing the computation cost and providing improved representations of the sub-grid physics. The proposed multiscale modeling approach will provide a new tool for material scientists in designing high-performance and safer energetic materials.

Green Security Games with real-time information (GSG-I) add the real-time information about the agents' movement to the typical GSG formulation. Prior works on GSG-I have used deep reinforcement learning (DRL) to learn the best policy for the agent in such an environment without any need to store the huge number of state representations for GSG-I. However, the decision-making process of DRL methods is largely opaque, which results in a lack of trust in their predictions. To tackle this issue, we present an interpretable DRL method for GSG-I that generates visualization to explain the decisions taken by the DRL algorithm. We also show that this approach performs better and works well with a simpler training regimen compared to the existing method.

Word embeddings play a significant role in today's Natural Language Processing tasks and applications. While pre-trained models may be directly employed and integrated into existing pipelines, they are often fine-tuned to better fit with specific languages or domains. In this paper, we attempt to improve available embeddings in the uncovered niche of the Italian medical domain through the combination of Contrastive Learning (CL) and Knowledge Graph Embedding (KGE). The main objective is to improve the accuracy of semantic similarity between medical terms, which is also used as an evaluation task. Since the Italian language lacks medical texts and controlled vocabularies, we have developed a specific solution by combining preexisting CL methods (multi-similarity loss, contextualization, dynamic sampling) and the integration of KGEs, creating a new variant of the loss. Although without having outperformed the state-of-the-art, represented by multilingual models, the obtained results are encouraging, providing a significant leap in performance compared to the starting model, while using a significantly lower amount of data.

Differentially Private Stochastic Gradient Descent (DP-SGD) is a key method for applying privacy in the training of deep learning models. This applies isotropic Gaussian noise to gradients during training, which can perturb these gradients in any direction, damaging utility. Metric DP, however, can provide alternative mechanisms based on arbitrary metrics that might be more suitable. In this paper we apply \textit{directional privacy}, via a mechanism based on the von Mises-Fisher (VMF) distribution, to perturb gradients in terms of \textit{angular distance} so that gradient direction is broadly preserved. We show that this provides $\epsilon d$-privacy for deep learning training, rather than the $(\epsilon, \delta)$-privacy of the Gaussian mechanism; and that experimentally, on key datasets, the VMF mechanism can outperform the Gaussian in the utility-privacy trade-off.

Domain shift is a well-known problem in the medical imaging community. In particular, for endoscopic image analysis where the data can have different modalities the performance of deep learning (DL) methods gets adversely affected. In other words, methods developed on one modality cannot be used for a different modality. However, in real clinical settings, endoscopists switch between modalities for better mucosal visualisation. In this paper, we explore the domain generalisation technique to enable DL methods to be used in such scenarios. To this extend, we propose to use super pixels generated with Simple Linear Iterative Clustering (SLIC) which we refer to as "SUPRA" for SUPeRpixel Augmented method. SUPRA first generates a preliminary segmentation mask making use of our new loss "SLICLoss" that encourages both an accurate and color-consistent segmentation. We demonstrate that SLICLoss when combined with Binary Cross Entropy loss (BCE) can improve the model's generalisability with data that presents significant domain shift. We validate this novel compound loss on a vanilla U-Net using the EndoUDA dataset, which contains images for Barret's Esophagus and polyps from two modalities. We show that our method yields an improvement of nearly 25% in the target domain set compared to the baseline.

Choosing the values of hyper-parameters in sparse Bayesian learning (SBL) can significantly impact performance. However, the hyper-parameters are normally tuned manually, which is often a difficult task. Most recently, effective automatic hyper-parameter tuning was achieved by using an empirical auto-tuner. In this work, we address the issue of hyper-parameter auto-tuning using neural network (NN)-based learning. Inspired by the empirical auto-tuner, we design and learn a NN-based auto-tuner, and show that considerable improvement in convergence rate and recovery performance can be achieved.

Adversarial perturbation plays a significant role in the field of adversarial robustness, which solves a maximization problem over the input data. We show that the backward propagation of such optimization can accelerate $2\times$ (and thus the overall optimization including the forward propagation can accelerate $1.5\times$), without any utility drop, if we only compute the output gradient but not the parameter gradient during the backward propagation.

We propose a new model-based offline RL framework, called Adversarial Models for Offline Reinforcement Learning (ARMOR), which can robustly learn policies to improve upon an arbitrary baseline policy regardless of data coverage. Based on the concept of relative pessimism, ARMOR is designed to optimize for the worst-case relative performance when facing uncertainty. In theory, we prove that the learned policy of ARMOR never degrades the performance of the baseline policy with any admissible hyperparameter, and can learn to compete with the best policy within data coverage when the hyperparameter is well tuned, and the baseline policy is supported by the data. Such a robust policy improvement property makes ARMOR especially suitable for building real-world learning systems, because in practice ensuring no performance degradation is imperative before considering any benefit learning can bring.

A key challenge in science and engineering is to design experiments to learn about some unknown quantity of interest. Classical experimental design optimally allocates the experimental budget to maximize a notion of utility (e.g., reduction in uncertainty about the unknown quantity). We consider a rich setting, where the experiments are associated with states in a {\em Markov chain}, and we can only choose them by selecting a {\em policy} controlling the state transitions. This problem captures important applications, from exploration in reinforcement learning to spatial monitoring tasks. We propose an algorithm -- \textsc{markov-design} -- that efficiently selects policies whose measurement allocation \emph{provably converges to the optimal one}. The algorithm is sequential in nature, adapting its choice of policies (experiments) informed by past measurements. In addition to our theoretical analysis, we showcase our framework on applications in ecological surveillance and pharmacology.  ( 2 min )

This paper proposes a hardware-efficient architecture, Linearized Convolution Network (LiCo-Net) for keyword spotting. It is optimized specifically for low-power processor units like microcontrollers. ML operators exhibit heterogeneous efficiency profiles on power-efficient hardware. Given the exact theoretical computation cost, int8 operators are more computation-effective than float operators, and linear layers are often more efficient than other layers. The proposed LiCo-Net is a dual-phase system that uses the efficient int8 linear operators at the inference phase and applies streaming convolutions at the training phase to maintain a high model capacity. The experimental results show that LiCo-Net outperforms single-value decomposition filter (SVDF) on hardware efficiency with on-par detection performance. Compared to SVDF, LiCo-Net reduces cycles by 40% on HiFi4 DSP.  ( 2 min )

We demonstrate Tensor Query Processor (TQP): a query processor that automatically compiles relational operators into tensor programs. By leveraging tensor runtimes such as PyTorch, TQP is able to: (1) integrate with ML tools (e.g., Pandas for data ingestion, Tensorboard for visualization); (2) target different hardware (e.g., CPU, GPU) and software (e.g., browser) backends; and (3) end-to-end accelerate queries containing both relational and ML operators. TQP is generic enough to support the TPC-H benchmark, and it provides performance that is comparable to, and often better than, that of specialized CPU and GPU query processors.  ( 2 min )

Minimalist Data Wrangling with Python is envisaged as a student's first introduction to data science, providing a high-level overview as well as discussing key concepts in detail. We explore methods for cleaning data gathered from different sources, transforming, selecting, and extracting features, performing exploratory data analysis and dimensionality reduction, identifying naturally occurring data clusters, modelling patterns in data, comparing data between groups, and reporting the results. This textbook is a non-profit project. Its online and PDF versions are freely available at https://datawranglingpy.gagolewski.com/.

Physics-informed neural networks have been widely applied to learn general parametric solutions of differential equations. Here, we propose a neural network to discover parametric eigenvalue and eigenfunction surfaces of quantum systems. We apply our method to solve the hydrogen molecular ion. This is an ab-initio deep learning method that solves the Schrodinger equation with the Coulomb potential yielding realistic wavefunctions that include a cusp at the ion positions. The neural solutions are continuous and differentiable functions of the interatomic distance and their derivatives are analytically calculated by applying automatic differentiation. Such a parametric and analytical form of the solutions is useful for further calculations such as the determination of force fields.

Large language models (LLMs) have led to a series of breakthroughs in natural language processing (NLP), owing to their excellent understanding and generation abilities. Remarkably, what further sets these models apart is the massive amounts of world knowledge they internalize during pretraining. While many downstream applications provide the model with an informational context to aid its performance on the underlying task, how the model's world knowledge interacts with the factual information presented in the context remains under explored. As a desirable behavior, an LLM should give precedence to the context whenever it contains task-relevant information that conflicts with the model's memorized knowledge. This enables model predictions to be grounded in the context, which can then be used to update or correct specific model predictions without frequent retraining. By contrast, when the context is irrelevant to the task, the model should ignore it and fall back on its internal knowledge. In this paper, we undertake a first joint study of the aforementioned two properties, namely controllability and robustness, in the context of LLMs. We demonstrate that state-of-the-art T5 and PaLM (both pretrained and finetuned) could exhibit poor controllability and robustness, which do not scale with increasing model size. As a solution, we propose a novel method - Knowledge Aware FineTuning (KAFT) - to strengthen both controllability and robustness by incorporating counterfactual and irrelevant contexts to standard supervised datasets. Our comprehensive evaluation showcases the utility of KAFT across model architectures and sizes.

As the Internet grows in popularity, more and more classification jobs, such as IoT, finance industry and healthcare field, rely on mobile edge computing to advance machine learning. In the medical industry, however, good diagnostic accuracy necessitates the combination of large amounts of labeled data to train the model, which is difficult and expensive to collect and risks jeopardizing patients' privacy. In this paper, we offer a novel medical diagnostic framework that employs a federated learning platform to ensure patient data privacy by transferring classification algorithms acquired in a labeled domain to a domain with sparse or missing labeled data. Rather than using a generative adversarial network, our framework uses a discriminative model to build multiple classification loss functions with the goal of improving diagnostic accuracy. It also avoids the difficulty of collecting large amounts of labeled data or the high cost of generating large amount of sample data. Experiments on real-world image datasets demonstrates that the suggested adversarial federated transfer learning method is promising for real-world medical diagnosis applications that use image classification.

The upcoming exascale era will provide a new generation of physics simulations. These simulations will have a high spatiotemporal resolution, which will impact the training of machine learning models since storing a high amount of simulation data on disk is nearly impossible. Therefore, we need to rethink the training of machine learning models for simulations for the upcoming exascale era. This work presents an approach that trains a neural network concurrently to a running simulation without storing data on a disk. The training pipeline accesses the training data by in-memory streaming. Furthermore, we apply methods from the domain of continual learning to enhance the generalization of the model. We tested our pipeline on the training of a 3d autoencoder trained concurrently to laser wakefield acceleration particle-in-cell simulation. Furthermore, we experimented with various continual learning methods and their effect on the generalization.

This paper surveys some recent developments in measures of association related to a new coefficient of correlation introduced by the author. A straightforward extension of this coefficient to standard Borel spaces (which includes all Polish spaces), overlooked in the literature so far, is proposed at the end of the survey.

Meta learning has demonstrated tremendous success in few-shot learning with limited supervised data. In those settings, the meta model is usually overparameterized. While the conventional statistical learning theory suggests that overparameterized models tend to overfit, empirical evidence reveals that overparameterized meta learning methods still work well -- a phenomenon often called "benign overfitting." To understand this phenomenon, we focus on the meta learning settings with a challenging bilevel structure that we term the gradient-based meta learning, and analyze its generalization performance under an overparameterized meta linear regression model. While our analysis uses the relatively tractable linear models, our theory contributes to understanding the delicate interplay among data heterogeneity, model adaptation and benign overfitting in gradient-based meta learning tasks. We corroborate our theoretical claims through numerical simulations.

The extragradient method has recently gained increasing attention, due to its convergence behavior on smooth games. In $n$-player differentiable games, the eigenvalues of the Jacobian of the vector field are distributed on the complex plane, exhibiting more convoluted dynamics compared to classical (i.e., single player) minimization. In this work, we take a polynomial-based analysis of the extragradient with momentum for optimizing games with \emph{cross-shaped} Jacobian spectrum on the complex plane. We show two results. First, based on the hyperparameter setup, the extragradient with momentum exhibits three different modes of convergence: when the eigenvalues are distributed $i)$ on the real line, $ii)$ both on the real line along with complex conjugates, and $iii)$ only as complex conjugates. Then, we focus on the case $ii)$, i.e., when the eigenvalues of the Jacobian have \emph{cross-shaped} structure, as observed in training generative adversarial networks. For this problem class, we derive the optimal hyperparameters of the momentum extragradient method, and show that it achieves an accelerated convergence rate.

New technologies and the availability of geospatial data have drawn attention to spatio-temporal biases present in society. For example: the COVID-19 pandemic highlighted disparities in the availability of broadband service and its role in the digital divide; the environmental justice movement in the United States has raised awareness to health implications for minority populations stemming from historical redlining practices; and studies have found varying quality and coverage in the collection and sharing of open-source geospatial data. Despite the extensive literature on machine learning (ML) fairness, few algorithmic strategies have been proposed to mitigate such biases. In this paper we highlight the unique challenges for quantifying and addressing spatio-temporal biases, through the lens of use cases presented in the scientific literature and media. We envision a roadmap of ML strategies that need to be developed or adapted to quantify and overcome these challenges -- including transfer learning, active learning, and reinforcement learning techniques. Further, we discuss the potential role of ML in providing guidance to policy makers on issues related to spatial fairness.

The rise of big data analytics has automated the decision-making of companies and increased supply chain agility. In this paper, we study the supply chain contract design problem faced by a data-driven supplier who needs to respond to the inventory decisions of the downstream retailer. Both the supplier and the retailer are uncertain about the market demand and need to learn about it sequentially. The goal for the supplier is to develop data-driven pricing policies with sublinear regret bounds under a wide range of possible retailer inventory policies for a fixed time horizon. To capture the dynamics induced by the retailer's learning policy, we first make a connection to non-stationary online learning by following the notion of variation budget. The variation budget quantifies the impact of the retailer's learning strategy on the supplier's decision-making. We then propose dynamic pricing policies for the supplier for both discrete and continuous demand. We also note that our proposed pricing policy only requires access to the support of the demand distribution, but critically, does not require the supplier to have any prior knowledge about the retailer's learning policy or the demand realizations. We examine several well-known data-driven policies for the retailer, including sample average approximation, distributionally robust optimization, and parametric approaches, and show that our pricing policies lead to sublinear regret bounds in all these cases. At the managerial level, we answer affirmatively that there is a pricing policy with a sublinear regret bound under a wide range of retailer's learning policies, even though she faces a learning retailer and an unknown demand distribution. Our work also provides a novel perspective in data-driven operations management where the principal has to learn to react to the learning policies employed by other agents in the system.

Machine learning algorithms typically assume that the training and test samples come from the same distributions, i.e., in-distribution. However, in open-world scenarios, streaming big data can be Out-Of-Distribution (OOD), rendering these algorithms ineffective. Prior solutions to the OOD challenge seek to identify invariant features across different training domains. The underlying assumption is that these invariant features should also work reasonably well in the unlabeled target domain. By contrast, this work is interested in the domain-specific features that include both invariant features and features unique to the target domain. We propose a simple yet effective approach that relies on correlations in general regardless of whether the features are invariant or not. Our approach uses the most confidently predicted samples identified by an OOD base model (teacher model) to train a new model (student model) that effectively adapts to the target domain. Empirical evaluations on benchmark datasets show that the performance is improved over the SOTA by ~10-20%

The emergence of variational quantum applications has led to the development of automatic differentiation techniques in quantum computing. Recently, Zhu et al. (PLDI 2020) have formulated differentiable quantum programming with bounded loops, providing a framework for scalable gradient calculation by quantum means for training quantum variational applications. However, promising parameterized quantum applications, e.g., quantum walk and unitary implementation, cannot be trained in the existing framework due to the natural involvement of unbounded loops. To fill in the gap, we provide the first differentiable quantum programming framework with unbounded loops, including a newly designed differentiation rule, code transformation, and their correctness proof. Technically, we introduce a randomized estimator for derivatives to deal with the infinite sum in the differentiation of unbounded loops, whose applicability in classical and probabilistic programming is also discussed. We implement our framework with Python and Q#, and demonstrate a reasonable sample efficiency. Through extensive case studies, we showcase an exciting application of our framework in automatically identifying close-to-optimal parameters for several parameterized quantum applications.

Deep neural networks are powerful tools to detect hidden patterns in data and leverage them to make predictions, but they are not designed to understand uncertainty and estimate reliable probabilities. In particular, they tend to be overconfident. We begin to address this problem in the context of multi-class classification by developing a novel training algorithm producing models with more dependable uncertainty estimates, without sacrificing predictive power. The idea is to mitigate overconfidence by minimizing a loss function, inspired by advances in conformal inference, that quantifies model uncertainty by carefully leveraging hold-out data. Experiments with synthetic and real data demonstrate this method can lead to smaller conformal prediction sets with higher conditional coverage, after exact calibration with hold-out data, compared to state-of-the-art alternatives.

The problem of secure source coding with multiple terminals is extended by considering a remote source whose noisy measurements are the correlated random variables used for secure source reconstruction. The main additions to the problem include 1) all terminals noncausally observe a noisy measurement of the remote source; 2) a private key is available to all legitimate terminals; 3) the public communication link between the encoder and decoder is rate-limited; and 4) the secrecy leakage to the eavesdropper is measured with respect to the encoder input, whereas the privacy leakage is measured with respect to the remote source. Exact rate regions are characterized for a lossy source coding problem with a private key, remote source, and decoder side information under security, privacy, communication, and distortion constraints. By replacing the distortion constraint with a reliability constraint, we obtain the exact rate region also for the lossless case. Furthermore, the lossy rate region for scalar discrete-time Gaussian sources and measurement channels is established.

One of the key problems in computer vision is adaptation: models are too rigid to follow the variability of the inputs. The canonical computation that explains adaptation in sensory neuroscience is divisive normalization, and it has appealing effects on image manifolds. In this work we show that including divisive normalization in current deep networks makes them more invariant to non-informative changes in the images. In particular, we focus on U-Net architectures for image segmentation. Experiments show that the inclusion of divisive normalization in the U-Net architecture leads to better segmentation results with respect to conventional U-Net. The gain increases steadily when dealing with images acquired in bad weather conditions. In addition to the results on the Cityscapes and Foggy Cityscapes datasets, we explain these advantages through visualization of the responses: the equalization induced by the divisive normalization leads to more invariant features to local changes in contrast and illumination.

Due to domain shift, deep neural networks (DNNs) usually fail to generalize well on unknown test data in practice. Domain generalization (DG) aims to overcome this issue by capturing domain-invariant representations from source domains. Motivated by the insight that only partial parameters of DNNs are optimized to extract domain-invariant representations, we expect a general model that is capable of well perceiving and emphatically updating such domain-invariant parameters. In this paper, we propose two modules of Domain Decoupling and Combination (DDC) and Domain-invariance-guided Backpropagation (DIGB), which can encourage such general model to focus on the parameters that have a unified optimization direction between pairs of contrastive samples. Our extensive experiments on two benchmarks have demonstrated that our proposed method has achieved state-of-the-art performance with strong generalization capability.

Artificial neural networks are functions depending on a finite number of parameters typically encoded as weights and biases. The identification of the parameters of the network from finite samples of input-output pairs is often referred to as the \emph{teacher-student model}, and this model has represented a popular framework for understanding training and generalization. Even if the problem is NP-complete in the worst case, a rapidly growing literature -- after adding suitable distributional assumptions -- has established finite sample identification of two-layer networks with a number of neurons $m=\mathcal O(D)$, $D$ being the input dimension. For the range $D<m<D^2$ the problem becomes harder, and truly little is known for networks parametrized by biases as well. This paper fills the gap by providing constructive methods and theoretical guarantees of finite sample identification for such wider shallow networks with biases. Our approach is based on a two-step pipeline: first, we recover the direction of the weights, by exploiting second order information; next, we identify the signs by suitable algebraic evaluations, and we recover the biases by empirical risk minimization via gradient descent. Numerical results demonstrate the effectiveness of our approach.

In this paper, we present methods for two types of metacognitive tasks in an AI system: rapidly expanding a neural classification model to accommodate a new category of object, and recognizing when a novel object type is observed instead of misclassifying the observation as a known class. Our methods take numerical data drawn from an embodied simulation environment, which describes the motion and properties of objects when interacted with, and we demonstrate that this type of representation is important for the success of novel type detection. We present a suite of experiments in rapidly accommodating the introduction of new categories and concepts and in novel type detection, and an architecture to integrate the two in an interactive system.

Wildfires are a common problem in many areas of the world with often catastrophic consequences. A number of systems have been created to provide early warnings of wildfires, including those that use satellite data to detect fires. The increased availability of small satellites, such as CubeSats, allows the wildfire detection response time to be reduced by deploying constellations of multiple satellites over regions of interest. By using machine learned components on-board the satellites, constraints which limit the amount of data that can be processed and sent back to ground stations can be overcome. There are hazards associated with wildfire alert systems, such as failing to detect the presence of a wildfire, or detecting a wildfire in the incorrect location. It is therefore necessary to be able to create a safety assurance case for the wildfire alert ML component that demonstrates it is sufficiently safe for use. This paper describes in detail how a safety assurance case for an ML wildfire alert system is created. This represents the first fully developed safety case for an ML component containing explicit argument and evidence as to the safety of the machine learning.

Text-based games present a unique class of sequential decision making problem in which agents interact with a partially observable, simulated environment via actions and observations conveyed through natural language. Such observations typically include instructions that, in a reinforcement learning (RL) setting, can directly or indirectly guide a player towards completing reward-worthy tasks. In this work, we study the ability of RL agents to follow such instructions. We conduct experiments that show that the performance of state-of-the-art text-based game agents is largely unaffected by the presence or absence of such instructions, and that these agents are typically unable to execute tasks to completion. To further study and address the task of instruction following, we equip RL agents with an internal structured representation of natural language instructions in the form of Linear Temporal Logic (LTL), a formal language that is increasingly used for temporally extended reward specification in RL. Our framework both supports and highlights the benefit of understanding the temporal semantics of instructions and in measuring progress towards achievement of such a temporally extended behaviour. Experiments with 500+ games in TextWorld demonstrate the superior performance of our approach.

The ability to dynamically adapt neural networks to newly-available data without performance deterioration would revolutionize deep learning applications. Streaming learning (i.e., learning from one data example at a time) has the potential to enable such real-time adaptation, but current approaches i) freeze a majority of network parameters during streaming and ii) are dependent upon offline, base initialization procedures over large subsets of data, which damages performance and limits applicability. To mitigate these shortcomings, we propose Cold Start Streaming Learning (CSSL), a simple, end-to-end approach for streaming learning with deep networks that uses a combination of replay and data augmentation to avoid catastrophic forgetting. Because CSSL updates all model parameters during streaming, the algorithm is capable of beginning streaming from a random initialization, making base initialization optional. Going further, the algorithm's simplicity allows theoretical convergence guarantees to be derived using analysis of the Neural Tangent Random Feature (NTRF). In experiments, we find that CSSL outperforms existing baselines for streaming learning in experiments on CIFAR100, ImageNet, and Core50 datasets. Additionally, we propose a novel multi-task streaming learning setting and show that CSSL performs favorably in this domain. Put simply, CSSL performs well and demonstrates that the complicated, multi-step training pipelines adopted by most streaming methodologies can be replaced with a simple, end-to-end learning approach without sacrificing performance.

We introduce and study a novel model-selection strategy for Bayesian learning, based on optimal transport, along with its associated predictive posterior law: the Wasserstein population barycenter of the posterior law over models. We first show how this estimator, termed Bayesian Wasserstein barycenter (BWB), arises naturally in a general, parameter-free Bayesian model-selection framework, when the considered Bayesian risk is the Wasserstein distance. Examples are given, illustrating how the BWB extends some classic parametric and non-parametric selection strategies. Furthermore, we also provide explicit conditions granting the existence and statistical consistency of the BWB, and discuss some of its general and specific properties, providing insights into its advantages compared to usual choices, such as the model average estimator. Finally, we illustrate how this estimator can be computed using the stochastic gradient descent (SGD) algorithm in Wasserstein space introduced in a companion paper arXiv:2201.04232v2 [math.OC], and provide a numerical example for experimental validation of the proposed method.

Albeit the Dice loss is one of the dominant loss functions in medical image segmentation, most research omits a closer look at its derivative, i.e. the real motor of the optimization when using gradient descent. In this paper, we highlight the peculiar action of the Dice loss in the presence of missing or empty labels. First, we formulate a theoretical basis that gives a general description of the Dice loss and its derivative. It turns out that the choice of the reduction dimensions $\Phi$ and the smoothing term $\epsilon$ is non-trivial and greatly influences its behavior. We find and propose heuristic combinations of $\Phi$ and $\epsilon$ that work in a segmentation setting with either missing or empty labels. Second, we empirically validate these findings in a binary and multiclass segmentation setting using two publicly available datasets. We confirm that the choice of $\Phi$ and $\epsilon$ is indeed pivotal. With $\Phi$ chosen such that the reductions happen over a single batch (and class) element and with a negligible $\epsilon$, the Dice loss deals with missing labels naturally and performs similarly compared to recent adaptations specific for missing labels. With $\Phi$ chosen such that the reductions happen over multiple batch elements or with a heuristic value for $\epsilon$, the Dice loss handles empty labels correctly. We believe that this work highlights some essential perspectives and hope that it encourages researchers to better describe their exact implementation of the Dice loss in future work.

Many real-world systems can be represented as graphs where the different entities are presented by nodes and their interactions by edges. An important task in studying large datasets is graph clustering. While there has been a lot of work on graph clustering using the connectivity between the nodes, many real-world networks also have node attributes. Clustering attributed graphs requires joint modeling of graph structure and node attributes. Recent work has focused on graph convolutional networks and graph convolutional filters to combine structural and content information. However, these methods are mostly limited to lowpass filtering and do not explicitly optimize the filters for the clustering task. In this paper, we introduce a graph signal processing based approach, where we design polynomial graph filters optimized for clustering. The proposed approach is formulated as a two-step iterative optimization problem where graph filters that are interpretable and optimal for the given data are learned while maximizing the separation between different clusters. The proposed approach is evaluated on attributed networks and compared to the state-of-the-art graph convolutional network approaches.

Effectively exploring the environment is a key challenge in reinforcement learning (RL). We address this challenge by defining a novel intrinsic reward based on a foundation model, such as contrastive language image pretraining (CLIP), which can encode a wealth of domain-independent semantic visual-language knowledge about the world. Specifically, our intrinsic reward is defined based on pre-trained CLIP embeddings without any fine-tuning or learning on the target RL task. We demonstrate that CLIP-based intrinsic rewards can drive exploration towards semantically meaningful states and outperform state-of-the-art methods in challenging sparse-reward procedurally-generated environments.

Learning an explainable classifier often results in low accuracy model or ends up with a huge rule set, while learning a deep model is usually more capable of handling noisy data at scale, but with the cost of hard to explain the result and weak at generalization. To mitigate this gap, we propose an end-to-end deep explainable learning approach that combines the advantage of deep model in noise handling and expert rule-based interpretability. Specifically, we propose to learn a deep data assessing model which models the data as a graph to represent the correlations among different observations, whose output will be used to extract key data features. The key features are then fed into a rule network constructed following predefined noisy expert rules with trainable parameters. As these models are correlated, we propose an end-to-end training framework, utilizing the rule classification loss to optimize the rule learning model and data assessing model at the same time. As the rule-based computation is none-differentiable, we propose a gradient linking search module to carry the gradient information from the rule learning model to the data assessing model. The proposed method is tested in an industry production system, showing comparable prediction accuracy, much higher generalization stability and better interpretability when compared with a decent deep ensemble baseline, and shows much better fitting power than pure rule-based approach.

Explainability has been widely stated as a cornerstone of the responsible and trustworthy use of machine learning models. With the ubiquitous use of Deep Neural Network (DNN) models expanding to risk-sensitive and safety-critical domains, many methods have been proposed to explain the decisions of these models. Recent years have also seen concerted efforts that have shown how such explanations can be distorted (attacked) by minor input perturbations. While there have been many surveys that review explainability methods themselves, there has been no effort hitherto to assimilate the different methods and metrics proposed to study the robustness of explanations of DNN models. In this work, we present a comprehensive survey of methods that study, understand, attack, and defend explanations of DNN models. We also present a detailed review of different metrics used to evaluate explanation methods, as well as describe attributional attack and defense methods. We conclude with lessons and take-aways for the community towards ensuring robust explanations of DNN model predictions.

OutlierDetection.jl is an open-source ecosystem for outlier detection in Julia. It provides a range of high-performance outlier detection algorithms implemented directly in Julia. In contrast to previous packages, our ecosystem enables the development highly-scalable outlier detection algorithms using a high-level programming language. Additionally, it provides a standardized, yet flexible, interface for future outlier detection algorithms and allows for model composition unseen in previous packages. Best practices such as unit testing, continuous integration, and code coverage reporting are enforced across the ecosystem. The most recent version of OutlierDetection.jl is available at https://github.com/OutlierDetectionJL/OutlierDetection.jl.

Seizure type identification is essential for the treatment and management of epileptic patients. However, it is a difficult process known to be time consuming and labor intensive. Automated diagnosis systems, with the advancement of machine learning algorithms, have the potential to accelerate the classification process, alert patients, and support physicians in making quick and accurate decisions. In this paper, we present a novel multi-path seizure-type classification deep learning network (MP-SeizNet), consisting of a convolutional neural network (CNN) and a bidirectional long short-term memory neural network (Bi-LSTM) with an attention mechanism. The objective of this study was to classify specific types of seizures, including complex partial, simple partial, absence, tonic, and tonic-clonic seizures, using only electroencephalogram (EEG) data. The EEG data is fed to our proposed model in two different representations. The CNN was fed with wavelet-based features extracted from the EEG signals, while the Bi-LSTM was fed with raw EEG signals to let our MP-SeizNet jointly learns from different representations of seizure data for more accurate information learning. The proposed MP-SeizNet was evaluated using the largest available EEG epilepsy database, the Temple University Hospital EEG Seizure Corpus, TUSZ v1.5.2. We evaluated our proposed model across different patient data using three-fold cross-validation and across seizure data using five-fold cross-validation, achieving F1 scores of 87.6% and 98.1%, respectively.

An effective aggregation of node features into a graph-level representation via readout functions is an essential step in numerous learning tasks involving graph neural networks. Typically, readouts are simple and non-adaptive functions designed such that the resulting hypothesis space is permutation invariant. Prior work on deep sets indicates that such readouts might require complex node embeddings that can be difficult to learn via standard neighborhood aggregation schemes. Motivated by this, we investigate the potential of adaptive readouts given by neural networks that do not necessarily give rise to permutation invariant hypothesis spaces. We argue that in some problems such as binding affinity prediction where molecules are typically presented in a canonical form it might be possible to relax the constraints on permutation invariance of the hypothesis space and learn a more effective model of the affinity by employing an adaptive readout function. Our empirical results demonstrate the effectiveness of neural readouts on more than 40 datasets spanning different domains and graph characteristics. Moreover, we observe a consistent improvement over standard readouts (i.e., sum, max, and mean) relative to the number of neighborhood aggregation iterations and different convolutional operators.

This article focuses on the control center of each human body: the brain. We will point out the pivotal role of the cerebral vasculature and how its complex mechanisms may vary between subjects. We then emphasize a specific acute pathological state, i.e., acute ischemic stroke, and show how medical imaging and its analysis can be used to define the treatment. We show how the core-penumbra concept is used in practice using mismatch criteria and how machine learning can be used to make predictions of the final infarct, either via deconvolution or convolutional neural networks.

Health sensing for chronic disease management creates immense benefits for social welfare. Existing health sensing studies primarily focus on the prediction of physical chronic diseases. Depression, a widespread complication of chronic diseases, is however understudied. We draw on the medical literature to support depression prediction using motion sensor data. To connect human expertise in the decision-making, safeguard trust for this high-stake prediction, and ensure algorithm transparency, we develop an interpretable deep learning model: Temporal Prototype Network (TempPNet). TempPNet is built upon the emergent prototype learning models. To accommodate the temporal characteristic of sensor data and the progressive property of depression, TempPNet differs from existing prototype learning models in its capability of capturing the temporal progression of depression. Extensive empirical analyses using real-world motion sensor data show that TempPNet outperforms state-of-the-art benchmarks in depression prediction. Moreover, TempPNet interprets its predictions by visualizing the temporal progression of depression and its corresponding symptoms detected from sensor data. We further conduct a user study to demonstrate its superiority over the benchmarks in interpretability. This study offers an algorithmic solution for impactful social good - collaborative care of chronic diseases and depression in health sensing. Methodologically, it contributes to extant literature with a novel interpretable deep learning model for depression prediction from sensor data. Patients, doctors, and caregivers can deploy our model on mobile devices to monitor patients' depression risks in real-time. Our model's interpretability also allows human experts to participate in the decision-making by reviewing the interpretation of prediction outcomes and making informed interventions.

This work studies the multi-task functional linear regression models where both the covariates and the unknown regression coefficients (called slope functions) are curves. For slope function estimation, we employ penalized splines to balance bias, variance, and computational complexity. The power of multi-task learning is brought in by imposing additional structures over the slope functions. We propose a general model with double regularization over the spline coefficient matrix: i) a matrix manifold constraint, and ii) a composite penalty as a summation of quadratic terms. Many multi-task learning approaches can be treated as special cases of this proposed model, such as a reduced-rank model and a graph Laplacian regularized model. We show the composite penalty induces a specific norm, which helps to quantify the manifold curvature and determine the corresponding proper subset in the manifold tangent space. The complexity of tangent space subset is then bridged to the complexity of geodesic neighbor via generic chaining. A unified convergence upper bound is obtained and specifically applied to the reduced-rank model and the graph Laplacian regularized model. The phase transition behaviors for the estimators are examined as we vary the configurations of model parameters.  ( 2 min )

Two central paradigms have emerged in the reinforcement learning (RL) community: online RL and offline RL. In the online RL setting, the agent has no prior knowledge of the environment, and must interact with it in order to find an $\epsilon$-optimal policy. In the offline RL setting, the learner instead has access to a fixed dataset to learn from, but is unable to otherwise interact with the environment, and must obtain the best policy it can from this offline data. Practical scenarios often motivate an intermediate setting: if we have some set of offline data and, in addition, may also interact with the environment, how can we best use the offline data to minimize the number of online interactions necessary to learn an $\epsilon$-optimal policy? In this work, we consider this setting, which we call the \textsf{FineTuneRL} setting, for MDPs with linear structure. We characterize the necessary number of online samples needed in this setting given access to some offline dataset, and develop an algorithm, \textsc{FTPedel}, which is provably optimal. We show through an explicit example that combining offline data with online interactions can lead to a provable improvement over either purely offline or purely online RL. Finally, our results illustrate the distinction between \emph{verifiable} learning, the typical setting considered in online RL, and \emph{unverifiable} learning, the setting often considered in offline RL, and show that there is a formal separation between these regimes.  ( 2 min )

A flexible conformal inference method is developed to construct confidence intervals for the frequencies of queried objects in very large data sets, based on a much smaller sketch of those data. The approach is data-adaptive and requires no knowledge of the data distribution or of the details of the sketching algorithm; instead, it constructs provably valid frequentist confidence intervals under the sole assumption of data exchangeability. Although our solution is broadly applicable, this paper focuses on applications involving the count-min sketch algorithm and a non-linear variation thereof. The performance is compared to that of frequentist and Bayesian alternatives through simulations and experiments with data sets of SARS-CoV-2 DNA sequences and classic English literature.

We consider stochastic gradient descents on the space of large symmetric matrices of suitable functions that are invariant under permuting the rows and columns using the same permutation. We establish deterministic limits of these random curves as the dimensions of the matrices go to infinity while the entries remain bounded. Under a "small noise" assumption the limit is shown to be the gradient flow of functions on graphons whose existence was established in arXiv:2111.09459. We also consider limits of stochastic gradient descents with added properly scaled reflected Brownian noise. The limiting curve of graphons is characterized by a family of stochastic differential equations with reflections and can be thought of as an extension of the classical McKean-Vlasov limit for interacting diffusions. The proofs introduce a family of infinite-dimensional exchangeable arrays of reflected diffusions and a novel notion of propagation of chaos for large matrices of interacting diffusions.

In this short technical note we propose a baseline for decision-aware learning for contextual linear optimization, which solves stochastic linear optimization when cost coefficients can be predicted based on context information. We propose a decision-aware version of predict-then-optimize. We reweigh the prediction error by the decision regret incurred by an (unweighted) pilot estimator of costs to obtain a decision-aware predictor, then optimize with cost predictions from the decision-aware predictor. This method can be motivated as a finite-difference, iterate-independent approximation of the gradients of previously proposed end-to-end learning algorithms; it is also consistent with previously suggested intuition for end-to-end learning. This baseline is computationally easy to implement with readily available reweighted prediction oracles and linear optimization, and can be implemented with convex optimization so long as the prediction error minimization is convex. Empirically, we demonstrate that this approach can lead to improvements over a "predict-then-optimize" framework for settings with misspecified models, and is competitive with other end-to-end approaches. Therefore, due to its simplicity and ease of use, we suggest it as a simple baseline for end-to-end and decision-aware learning.

This paper surveys some recent developments in measures of association related to a new coefficient of correlation introduced by the author. A straightforward extension of this coefficient to standard Borel spaces (which includes all Polish spaces), overlooked in the literature so far, is proposed at the end of the survey.

We study stochastic optimization algorithms for constrained nonconvex stochastic optimization problems with Markovian data. In particular, we focus on the case when the transition kernel of the Markov chain is state-dependent. Such stochastic optimization problems arise in various machine learning problems including strategic classification and reinforcement learning. For this problem, we study both projection-based and projection-free algorithms. In both cases, we establish that the number of calls to the stochastic first-order oracle to obtain an appropriately defined $\epsilon$-stationary point is of the order $\mathcal{O}(1/\epsilon^{2.5})$. In the projection-free setting we additionally establish that the number of calls to the linear minimization oracle is of order $\mathcal{O}(1/\epsilon^{5.5})$. We also empirically demonstrate the performance of our algorithm on the problem of strategic classification with neural networks.

A flexible method is developed to construct a confidence interval for the frequency of a queried object in a very large data set, based on a much smaller sketch of the data. The approach requires no knowledge of the data distribution or of the details of the sketching algorithm; instead, it constructs provably valid frequentist confidence intervals for random queries using a conformal inference approach. After achieving marginal coverage for random queries under the assumption of data exchangeability, the proposed method is extended to provide stronger inferences accounting for possibly heterogeneous frequencies of different random queries, redundant queries, and distribution shifts. While the presented methods are broadly applicable, this paper focuses on use cases involving the count-min sketch algorithm and a non-linear variation thereof, to facilitate comparison to prior work. In particular, the developed methods are compared empirically to frequentist and Bayesian alternatives, through simulations and experiments with data sets of SARS-CoV-2 DNA sequences and classic English literature.

The US Census Bureau will deliberately corrupt data sets derived from the 2020 US Census in an effort to maintain privacy, suggesting a painful trade-off between the privacy of respondents and the precision of economic analysis. To investigate whether this trade-off is inevitable, we formulate a semiparametric model of causal inference with high dimensional corrupted data. We propose a procedure for data cleaning, estimation, and inference with data cleaning-adjusted confidence intervals. We prove consistency, Gaussian approximation, and semiparametric efficiency by finite sample arguments, with a rate of $n^{-1/2}$ for semiparametric estimands that degrades gracefully for nonparametric estimands. Our key assumption is that the true covariates are approximately low rank, which we interpret as approximate repeated measurements and validate in the Census. In our analysis, we provide nonasymptotic theoretical contributions to matrix completion, statistical learning, and semiparametric statistics. Calibrated simulations verify the coverage of our data cleaning-adjusted confidence intervals and demonstrate the relevance of our results for 2020 Census data.

A classical result in learning theory shows the equivalence of PAC learnability of binary hypothesis classes and the finiteness of VC dimension. Extending this to the multiclass setting was an open problem, which was settled in a recent breakthrough result characterizing multiclass PAC learnability via the DS dimension introduced earlier by Daniely and Shalev-Shwartz. In this work we consider list PAC learning where the goal is to output a list of $k$ predictions. List learning algorithms have been developed in several settings before and indeed, list learning played an important role in the recent characterization of multiclass learnability. In this work we ask: when is it possible to $k$-list learn a hypothesis class? We completely characterize $k$-list learnability in terms of a generalization of DS dimension that we call the $k$-DS dimension. Generalizing the recent characterization of multiclass learnability, we show that a hypothesis class is $k$-list learnable if and only if the $k$-DS dimension is finite.

Quantum-enhanced data science, also known as quantum machine learning (QML), is of growing interest as an application of near-term quantum computers. Variational QML algorithms have the potential to solve practical problems on real hardware, particularly when involving quantum data. However, training these algorithms can be challenging and calls for tailored optimization procedures. Specifically, QML applications can require a large shot-count overhead due to the large datasets involved. In this work, we advocate for simultaneous random sampling over both the dataset as well as the measurement operators that define the loss function. We consider a highly general loss function that encompasses many QML applications, and we show how to construct an unbiased estimator of its gradient. This allows us to propose a shot-frugal gradient descent optimizer called Refoqus (REsource Frugal Optimizer for QUantum Stochastic gradient descent). Our numerics indicate that Refoqus can save several orders of magnitude in shot cost, even relative to optimizers that sample over measurement operators alone.

Streets networks provide an invaluable source of information about the different temporal and spatial patterns emerging in our cities. These streets are often represented as graphs where intersections are modelled as nodes and streets as links between them. Previous work has shown that raster representations of the original data can be created through a learning algorithm on low-dimensional representations of the street networks. In contrast, models that capture high-level urban network metrics can be trained through convolutional neural networks. However, the detailed topological data is lost through the rasterisation of the street network. The models cannot recover this information from the image alone, failing to capture complex street network features. This paper proposes a model capable of inferring good representations directly from the street network. Specifically, we use a variational autoencoder with graph convolutional layers and a decoder that outputs a probabilistic fully-connected graph to learn latent representations that encode both local network structure and the spatial distribution of nodes. We train the model on thousands of street network segments and use the learnt representations to generate synthetic street configurations. Finally, we proposed a possible application to classify the urban morphology of different network segments by investigating their common characteristics in the learnt space.

We develop Bayesian neural networks (BNNs) that permit to model generic nonlinearities and time variation for (possibly large sets of) macroeconomic and financial variables. From a methodological point of view, we allow for a general specification of networks that can be applied to either dense or sparse datasets, and combines various activation functions, a possibly very large number of neurons, and stochastic volatility (SV) for the error term. From a computational point of view, we develop fast and efficient estimation algorithms for the general BNNs we introduce. From an empirical point of view, we show both with simulated data and with a set of common macro and financial applications that our BNNs can be of practical use, particularly so for observations in the tails of the cross-sectional or time series distributions of the target variables.

A population-level analysis is proposed to address data sparsity when building predictive models for engineering infrastructure. Utilising an interpretable hierarchical Bayesian approach and operational fleet data, domain expertise is naturally encoded (and appropriately shared) between different sub-groups, representing (i) use-type, (ii) component, or (iii) operating condition. Specifically, domain expertise is exploited to constrain the model via assumptions (and prior distributions) allowing the methodology to automatically share information between similar assets, improving the survival analysis of a truck fleet and power prediction in a wind farm. In each asset management example, a set of correlated functions is learnt over the fleet, in a combined inference, to learn a population model. Parameter estimation is improved when sub-fleets share correlated information at different levels of the hierarchy. In turn, groups with incomplete data automatically borrow statistical strength from those that are data-rich. The statistical correlations enable knowledge transfer via Bayesian transfer learning, and the correlations can be inspected to inform which assets share information for which effect (i.e. parameter). Both case studies demonstrate the wide applicability to practical infrastructure monitoring, since the approach is naturally adapted between interpretable fleet models of different in situ examples.

Artificial neural networks are functions depending on a finite number of parameters typically encoded as weights and biases. The identification of the parameters of the network from finite samples of input-output pairs is often referred to as the \emph{teacher-student model}, and this model has represented a popular framework for understanding training and generalization. Even if the problem is NP-complete in the worst case, a rapidly growing literature -- after adding suitable distributional assumptions -- has established finite sample identification of two-layer networks with a number of neurons $m=\mathcal O(D)$, $D$ being the input dimension. For the range $D<m<D^2$ the problem becomes harder, and truly little is known for networks parametrized by biases as well. This paper fills the gap by providing constructive methods and theoretical guarantees of finite sample identification for such wider shallow networks with biases. Our approach is based on a two-step pipeline: first, we recover the direction of the weights, by exploiting second order information; next, we identify the signs by suitable algebraic evaluations, and we recover the biases by empirical risk minimization via gradient descent. Numerical results demonstrate the effectiveness of our approach.

Neural density estimators have proven remarkably powerful in performing efficient simulation-based Bayesian inference in various research domains. In particular, the BayesFlow framework uses a two-step approach to enable amortized parameter estimation in settings where the likelihood function is implicitly defined by a simulation program. But how faithful is such inference when simulations are poor representations of reality? In this paper, we conceptualize the types of model misspecification arising in simulation-based inference and systematically investigate the performance of the BayesFlow framework under these misspecifications. We propose an augmented optimization objective which imposes a probabilistic structure on the latent data space and utilize maximum mean discrepancy (MMD) to detect potentially catastrophic misspecifications during inference undermining the validity of the obtained results. We verify our detection criterion on a number of artificial and realistic misspecifications, ranging from toy conjugate models to complex models of decision making and disease outbreak dynamics applied to real data. Further, we show that posterior inference errors increase as a function of the distance between the true data-generating distribution and the typical set of simulations in the latent summary space. Thus, we demonstrate the dual utility of MMD as a method for detecting model misspecification and as a proxy for verifying the faithfulness of amortized Bayesian inference.

The extragradient method has recently gained increasing attention, due to its convergence behavior on smooth games. In $n$-player differentiable games, the eigenvalues of the Jacobian of the vector field are distributed on the complex plane, exhibiting more convoluted dynamics compared to classical (i.e., single player) minimization. In this work, we take a polynomial-based analysis of the extragradient with momentum for optimizing games with \emph{cross-shaped} Jacobian spectrum on the complex plane. We show two results. First, based on the hyperparameter setup, the extragradient with momentum exhibits three different modes of convergence: when the eigenvalues are distributed $i)$ on the real line, $ii)$ both on the real line along with complex conjugates, and $iii)$ only as complex conjugates. Then, we focus on the case $ii)$, i.e., when the eigenvalues of the Jacobian have \emph{cross-shaped} structure, as observed in training generative adversarial networks. For this problem class, we derive the optimal hyperparameters of the momentum extragradient method, and show that it achieves an accelerated convergence rate.

The rise of big data analytics has automated the decision-making of companies and increased supply chain agility. In this paper, we study the supply chain contract design problem faced by a data-driven supplier who needs to respond to the inventory decisions of the downstream retailer. Both the supplier and the retailer are uncertain about the market demand and need to learn about it sequentially. The goal for the supplier is to develop data-driven pricing policies with sublinear regret bounds under a wide range of possible retailer inventory policies for a fixed time horizon. To capture the dynamics induced by the retailer's learning policy, we first make a connection to non-stationary online learning by following the notion of variation budget. The variation budget quantifies the impact of the retailer's learning strategy on the supplier's decision-making. We then propose dynamic pricing policies for the supplier for both discrete and continuous demand. We also note that our proposed pricing policy only requires access to the support of the demand distribution, but critically, does not require the supplier to have any prior knowledge about the retailer's learning policy or the demand realizations. We examine several well-known data-driven policies for the retailer, including sample average approximation, distributionally robust optimization, and parametric approaches, and show that our pricing policies lead to sublinear regret bounds in all these cases. At the managerial level, we answer affirmatively that there is a pricing policy with a sublinear regret bound under a wide range of retailer's learning policies, even though she faces a learning retailer and an unknown demand distribution. Our work also provides a novel perspective in data-driven operations management where the principal has to learn to react to the learning policies employed by other agents in the system.

This paper revisits the work of Rauch et al. (1965) and develops a novel method for recursive maximum likelihood particle filtering for general state-space models. The new method is based on statistical analysis of incomplete observations of the systems. Score function and conditional observed information of the incomplete observations/data are introduced and their distributional properties are discussed. Some identities concerning the score function and information matrices of the incomplete data are derived. Maximum likelihood estimation of state-vector is presented in terms of the score function and observed information matrices. In particular, to deal with nonlinear state-space, a sequential Monte Carlo method is developed. It is given recursively by an EM-gradient-particle filtering which extends the work of Lange (1995) for state estimation. To derive covariance matrix of state-estimation errors, an explicit form of observed information matrix is proposed. It extends Louis (1982) general formula for the same matrix to state-vector estimation. Under (Neumann) boundary conditions of state transition probability distribution, the inverse of this matrix coincides with the Cramer-Rao lower bound on the covariance matrix of estimation errors of unbiased state-estimator. In the case of linear models, the method shows that the Kalman filter is a fully efficient state estimator whose covariance matrix of estimation error coincides with the Cramer-Rao lower bound. Some numerical examples are discussed to exemplify the main results.  ( 3 min )

Deep neural networks are powerful tools to detect hidden patterns in data and leverage them to make predictions, but they are not designed to understand uncertainty and estimate reliable probabilities. In particular, they tend to be overconfident. We begin to address this problem in the context of multi-class classification by developing a novel training algorithm producing models with more dependable uncertainty estimates, without sacrificing predictive power. The idea is to mitigate overconfidence by minimizing a loss function, inspired by advances in conformal inference, that quantifies model uncertainty by carefully leveraging hold-out data. Experiments with synthetic and real data demonstrate this method can lead to smaller conformal prediction sets with higher conditional coverage, after exact calibration with hold-out data, compared to state-of-the-art alternatives.  ( 2 min )

We introduce a challenging decision-making task that we call active acquisition for multimodal temporal data (A2MT). In many real-world scenarios, input features are not readily available at test time and must instead be acquired at significant cost. With A2MT, we aim to learn agents that actively select which modalities of an input to acquire, trading off acquisition cost and predictive performance. A2MT extends a previous task called active feature acquisition to temporal decision making about high-dimensional inputs. Further, we propose a method based on the Perceiver IO architecture to address A2MT in practice. Our agents are able to solve a novel synthetic scenario requiring practically relevant cross-modal reasoning skills. On two large-scale, real-world datasets, Kinetics-700 and AudioSet, our agents successfully learn cost-reactive acquisition behavior. However, an ablation reveals they are unable to learn to learn adaptive acquisition strategies, emphasizing the difficulty of the task even for state-of-the-art models. Applications of A2MT may be impactful in domains like medicine, robotics, or finance, where modalities differ in acquisition cost and informativeness.  ( 2 min )

Meta learning has demonstrated tremendous success in few-shot learning with limited supervised data. In those settings, the meta model is usually overparameterized. While the conventional statistical learning theory suggests that overparameterized models tend to overfit, empirical evidence reveals that overparameterized meta learning methods still work well -- a phenomenon often called "benign overfitting." To understand this phenomenon, we focus on the meta learning settings with a challenging bilevel structure that we term the gradient-based meta learning, and analyze its generalization performance under an overparameterized meta linear regression model. While our analysis uses the relatively tractable linear models, our theory contributes to understanding the delicate interplay among data heterogeneity, model adaptation and benign overfitting in gradient-based meta learning tasks. We corroborate our theoretical claims through numerical simulations.  ( 2 min )

Machine-Learned Likelihoods (MLL) is a method that, by combining modern machine-learning classification techniques with likelihood-based inference tests, allows to estimate the experimental sensitivity of high-dimensional data sets. We extend the MLL method by including the exclusion hypothesis tests and show that the addition of Kernel Density Estimators avoids the need to bin the classifier output in order to extract the resulting one-dimensional signal and background probability density functions. We first test our method on toy models generated with multivariate Gaussian distributions, where the true probability distribution functions are known. We then apply it to a case of interest in the search for new physics at the HL-LHC, in which a $Z^\prime$ boson decays into lepton pairs, comparing the performance of our method for estimating 95\% CL exclusion limits to the results obtained applying a binned likelihood to the machine-learning classifier output.  ( 2 min )

A key challenge in science and engineering is to design experiments to learn about some unknown quantity of interest. Classical experimental design optimally allocates the experimental budget to maximize a notion of utility (e.g., reduction in uncertainty about the unknown quantity). We consider a rich setting, where the experiments are associated with states in a {\em Markov chain}, and we can only choose them by selecting a {\em policy} controlling the state transitions. This problem captures important applications, from exploration in reinforcement learning to spatial monitoring tasks. We propose an algorithm -- \textsc{markov-design} -- that efficiently selects policies whose measurement allocation \emph{provably converges to the optimal one}. The algorithm is sequential in nature, adapting its choice of policies (experiments) informed by past measurements. In addition to our theoretical analysis, we showcase our framework on applications in ecological surveillance and pharmacology.  ( 2 min )

Modern statistical learning algorithms are capable of amazing flexibility, but struggle with interpretability. One possible solution is sparsity: making inference such that many of the parameters are estimated as being identically 0, which may be imposed through the use of nonsmooth penalties such as the $\ell_1$ penalty. However, the $\ell_1$ penalty introduces significant bias when high sparsity is desired. In this article, we retain the $\ell_1$ penalty, but define learnable penalty weights $\lambda_p$ endowed with hyperpriors. We start the article by investigating the optimization problem this poses, developing a proximal operator associated with the $\ell_1$ norm. We then study the theoretical properties of this variable-coefficient $\ell_1$ penalty in the context of penalized likelihood. Next, we investigate application of this penalty to Variational Bayes, developing a model we call the Sparse Bayesian Lasso which allows for behavior qualitatively like Lasso regression to be applied to arbitrary variational models. In simulation studies, this gives us the Uncertainty Quantification and low bias properties of simulation-based approaches with an order of magnitude less computation. Finally, we apply our methodology to a Bayesian lagged spatiotemporal regression model of internal displacement that occurred during the Iraqi Civil War of 2013-2017.  ( 2 min )

We introduce and study a novel model-selection strategy for Bayesian learning, based on optimal transport, along with its associated predictive posterior law: the Wasserstein population barycenter of the posterior law over models. We first show how this estimator, termed Bayesian Wasserstein barycenter (BWB), arises naturally in a general, parameter-free Bayesian model-selection framework, when the considered Bayesian risk is the Wasserstein distance. Examples are given, illustrating how the BWB extends some classic parametric and non-parametric selection strategies. Furthermore, we also provide explicit conditions granting the existence and statistical consistency of the BWB, and discuss some of its general and specific properties, providing insights into its advantages compared to usual choices, such as the model average estimator. Finally, we illustrate how this estimator can be computed using the stochastic gradient descent (SGD) algorithm in Wasserstein space introduced in a companion paper arXiv:2201.04232v2 [math.OC], and provide a numerical example for experimental validation of the proposed method.  ( 2 min )

Virtual, make-on-demand chemical libraries have transformed early-stage drug discovery by unlocking vast, synthetically accessible regions of chemical space. Recent years have witnessed rapid growth in these libraries from millions to trillions of compounds, hiding undiscovered, potent hits for a variety of therapeutic targets. However, they are quickly approaching a size beyond that which permits explicit enumeration, presenting new challenges for virtual screening. To overcome these challenges, we propose the Combinatorial Synthesis Library Variational Auto-Encoder (CSLVAE). The proposed generative model represents such libraries as a differentiable, hierarchically-organized database. Given a compound from the library, the molecular encoder constructs a query for retrieval, which is utilized by the molecular decoder to reconstruct the compound by first decoding its chemical reaction and subsequently decoding its reactants. Our design minimizes autoregression in the decoder, facilitating the generation of large, valid molecular graphs. Our method performs fast and parallel batch inference for ultra-large synthesis libraries, enabling a number of important applications in early-stage drug discovery. Compounds proposed by our method are guaranteed to be in the library, and thus synthetically and cost-effectively accessible. Importantly, CSLVAE can encode out-of-library compounds and search for in-library analogues. In experiments, we demonstrate the capabilities of the proposed method in the navigation of massive combinatorial synthesis libraries.  ( 2 min )

In many applications, it is of interest to identify a parsimonious set of features, or panel, from multiple candidates that achieves a desired level of performance in predicting a response. This task is often complicated in practice by missing data arising from the sampling design or other random mechanisms. Most recent work on variable selection in missing data contexts relies in some part on a finite-dimensional statistical model, e.g., a generalized or penalized linear model. In cases where this model is misspecified, the selected variables may not all be truly scientifically relevant and can result in panels with suboptimal classification performance. To address this limitation, we propose a nonparametric variable selection algorithm combined with multiple imputation to develop flexible panels in the presence of missing-at-random data. We outline strategies based on the proposed algorithm that achieve control of commonly used error rates. Through simulations, we show that our proposal has good operating characteristics and results in panels with higher classification and variable selection performance compared to several existing penalized regression approaches in cases where a generalized linear model is misspecified. Finally, we use the proposed method to develop biomarker panels for separating pancreatic cysts with differing malignancy potential in a setting where complicated missingness in the biomarkers arose due to limited specimen volumes.  ( 3 min )

The goal of model compression is to reduce the size of a large neural network while retaining a comparable performance. As a result, computation and memory costs in resource-limited applications may be significantly reduced by dropping redundant weights, neurons, or layers. There have been many model compression algorithms proposed that provide impressive empirical success. However, a theoretical understanding of model compression is still limited. One problem is understanding if a network is more compressible than another of the same structure. Another problem is quantifying how much one can prune a network with theoretically guaranteed accuracy degradation. In this work, we propose to use the sparsity-sensitive $\ell_q$-norm ($0<q<1$) to characterize compressibility and provide a relationship between soft sparsity of the weights in the network and the degree of compression with a controlled accuracy degradation bound. We also develop adaptive algorithms for pruning each neuron in the network informed by our theory. Numerical studies demonstrate the promising performance of the proposed methods compared with standard pruning algorithms.  ( 2 min )

Hi everyone! I'm taking a course where i am using ml and after hours and hours of tuning my rainbow dqn agent IT FINALLY WORKS. But now i need to train it :(:( I would like to know if anyone knew about cloud computing free trials where you have access to gpus? The google cloud and AWS trials dont.. submitted by /u/Secret-Toe-8185 [link] [comments]  ( 52 min )

So like, I've been trying to find some sort of art ai that can grab two or more images as references to make new art from (opposed to the ones that create art from text prompts). There is artbreeder, but that one is kinda limiting with uploads and everything, and I haven't been able to find anything good. can you guys help me out by chance? submitted by /u/XCanadienGamerX [link] [comments]  ( 46 min )

Back around the GPT-2 and BERT days, model distillation was a big topic and almost always followed the release of a new model. These days however, it seems to be less prevalent in newer projects. Have groups largely abandoned model distillation? submitted by /u/holamyeung [link] [comments]  ( 46 min )

I've been playing around with AI art generators and was wondering if there are any generators with no restrictions and are free-to-use with decent speed and image quality. Please tell me about any AI art generators that have no restrictions, payment, are free-to-use, have good picture quality, and good generating speed because I'd like to now. Will satisfy me. submitted by /u/DravinRaven [link] [comments]  ( 46 min )

Hey Machine Learning Engineers 👋, we are Kermit.ai and our mission is to become the world’s “go to” platform for NLP researchers and practitioners to accelerate and simplify their machine learning data management process. You struggle over data annotation? We got you covered. You suffer from biased data? We got you covered. You have trouble versioning your data? Guess what.. we got you covered. ​ https://preview.redd.it/rdm7tciac6z91.jpg?width=500&format=pjpg&auto=webp&s=1f61c0f9d489ceb9d02a3537a107ffe94b508882 Kermit.ai supports you throughout the entire ML Data Management Process: Managing Data Annotating Data Preparing Data Identifying Outliers in Data Visualizing, Curating and Searching Data Visit us at kermit.ai to sign up for the waitlist and learn more. Keep engineering 🧑🏽‍💻, Kermit submitted by /u/kermitai [link] [comments]  ( 45 min )

Hi redditors, I need your help about an assignment for my university. It should be 10 to 20 pages long, with 50% of theoretic and 50% of practical content (statistics, case studies, dissemination of knowledge). How would you build up the structure of my work? submitted by /u/MorWa01 [link] [comments]  ( 46 min )

submitted by /u/ai-lover [link] [comments]  ( 44 min )

submitted by /u/SamuelSmith1416 [link] [comments]  ( 44 min )

submitted by /u/stickafugginit [link] [comments]  ( 48 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 44 min )

I heard that AI can predict the stock market but I have no idea how to get there, can someone please help me? submitted by /u/SandraPlugged [link] [comments]  ( 44 min )

submitted by /u/Tao_Dragon [link] [comments]  ( 48 min )

A new and more efficient way of modeling and designing power electronic converters using artificial intelligence (AI) has been created by a team of experts from Cardiff University and the Compound Semiconductor Applications (CSA) Catapult. The method has reduced design times for technology by up to 78% compared to traditional approaches and was used to create a device with an efficiency of over 98%. The team's findings have been published in the IEEE Open Journal of Power Electronics and IEEE Transactions on Power Electronics. A power converter is an electrical device for converting electrical energy. It can convert alternating current (AC) into direct current (DC) and vice versa or change the voltage or frequency of a current. Power converters are used in a wide range of technologies, …  ( 46 min )

Now a days, most people are familiar with AI voice assistants and use this technology in their day-to-day life. Recently at Google’s I/O 2018 event, they demonstrated a phone call conversation between the google assistant and a real person. The reason behind the realistic conversation is, of course, the intelligence but also the voice of the AI. The technology used to create a similar realistic voice is called Speed synthesis. In this article, we will be discussing one of the speech synthesis algorithms and try to learn about the architecture and working of the neural vocoder. Following are the topics to be covered. https://analyticsindiamag.com/neural-vocoder-and-its-application-in-speech-recognition/ submitted by /u/analyticsindiam [link] [comments]  ( 49 min )

submitted by /u/AubreBrumfield [link] [comments]  ( 43 min )

submitted by /u/treyratcliff [link] [comments]  ( 44 min )

Hey everyone, PI.EXCHANGE is developing an AutoML tool to help our users identify which of their customers are likely to leave their business. Ideally you are: Familiar with tabular data for customer transactions Have basic understanding about customer relationship management in the banking, retail, ecommerce, etc. industries If you're interested, please sign-up via this link https://www.pi.exchange/usability-testing-churn-prototype https://preview.redd.it/y1gwfuo002z91.png?width=1200&format=png&auto=webp&s=2509b11d838d30851fcfdaba04bbdf215b84861f submitted by /u/PIEXCHANGE [link] [comments]  ( 49 min )

submitted by /u/ai-lover [link] [comments]  ( 47 min )

submitted by /u/ai-lover [link] [comments]  ( 46 min )

Deodel implements in Python a classifier algorithm with native support for mixed attributes data. It features good accuracy and versatility. It is available at: https://github.com/c4pub/deodel submitted by /u/usrideas [link] [comments]  ( 59 min )

Hi all, I will be careful not the use the term "confidence" to keep the goal clear and not confuse with confidence interval or predictions. I have two sources of data. One very reliable (experimental), and another source less so, but still carries useful information. Is it possible to feed the entirety of the data to an algorithm while specifying a certain "trust" or "reliability" in the data source? The goal being putting more weight on the reliable source, while still picking up some hidden patterns from the second source? submitted by /u/DreamyPen [link] [comments]  ( 61 min )

I have a binary classification problem, where I have 2 methods. Method A: This method is 100% precise, but has low recall Method B: It has a way higher recall, but lower precision. I was thinking of using the samples from method A to estimate a False-Positive rate for method B, but how to do that? Any way to estimate the false positive rate here? submitted by /u/pedromnasc [link] [comments]  ( 61 min )

Hi everybody, here is the complete relabelling of the COCO 2017 dataset for segmentation. This is all free of charge, un-gated, and was done by Sama, a labelling company for CV data. The dataset is available on the Sama website under a Creative Commons license: https://www.sama.com/sama-coco-dataset/. I would also love to hear any feedback. Disclaimer: I work for Sama submitted by /u/iknowjerome [link] [comments]  ( 57 min )

Explore the connection between diffusion models and optimal control 🔥 📖 Paper 🎙Come to our oral at the NeurIPS workshop on score-based methods and let’s discuss how one field can benefit from the other. https://preview.redd.it/6kc1yvz1i4z91.png?width=2852&format=png&auto=webp&s=b6049a8901adc7077d3cfe51508fee70c8133a97 Highlights: 1️⃣ Log-density of the underlying SDE satisfies a HJB equation. 2️⃣ ELBO follows directly from the verification theorem. 3️⃣ Diffusion-based approach to sample from (unnormalized) densities. ...and more to come! submitted by /u/julbern [link] [comments]  ( 62 min )

I am working on a project which requires me to consolidate the representations of several vectors of different shapes. Is there any alternative method to padding that can be used for this? submitted by /u/GrammarPaparazzi [link] [comments]  ( 66 min )

Hi folks! When we created this brand new category 3 years ago nobody knew what the heck a vector database is. Now as it becoming a less strange term and gaining more interest every day, we hear many more interested people asking about what it is and how it's different. So here it is, (dramatic pause) the ultimate guide served with the latest paper! In the tutorial, we answered 3 (power of three!) most commonly asked questions about vector database: What is a vector database? How does it compare to vector search libraries / ANN libraries like FAISS, ScaNN, and HNSW? How does it compare to vector search plugins, such as ClickHouse and Elasticsearch? Link to tutorial: https://zilliz.com/learn/what-is-vector-database Link to paper for architectural scoop: https://arxiv.org/abs/2206.13843 If you like what you see and fancy more, check out the Vector Database 101 series that's being updated on a weekly basis. Enjoy! submitted by /u/claireyuw [link] [comments]  ( 58 min )

Glad to share our our open-source work: LiBai, which is a large-scale open-source model training toolbox based on OneFlow, the biggest feature of the library is allows users to easily training any model in parallel. Github links: https://github.com/Oneflow-Inc/libai. LiBai Document: https://libai.readthedocs.io/en/latest/tutorials/get_started/Installation.html. Model Zoo Support 3D-parallel (data parallel + tensor parallel + pipeline parallel) Models: - Bert, GPT2, T5, Vision Transformer, Swin Transformer, ResMLP, Roberta. And there are more Projects in LiBai. Characteristics of LiBai LiBai gets better Throughouts compared to Megatron, refer to Benchmark for more details 3-D Parallel BERT LiBai Megatron nl24_fp16_2x2x4_ac_mb128_gb2048_2n8g 267.39 samples/s 233.7 samples…  ( 58 min )

This post was co-authored by Arun Gupta, the Director of Business Intelligence at Prodege, LLC. Prodege is a data-driven marketing and consumer insights platform comprised of consumer brands—Swagbucks, MyPoints, Tada, ySense, InboxDollars, InboxPounds, DailyRewards, PollFish, and Upromise—along with a complementary suite of business solutions for marketers and researchers. Prodege has 120 million users and has […]  ( 7 min )

Business analysts work with data and like to analyze, explore, and understand data to achieve effective business outcomes. To address business problems, they often rely on machine learning (ML) practitioners such as data scientists to assist with techniques such as utilizing ML to build models using existing data and generate predictions. However, it isn’t always […]  ( 8 min )

Hi I'm wanna learn the backpropgation algorithm from end to end. That is to understand all the steps on the way include: Taylor series approximation of function at least in high level SGD and why going in the contrast way to the gradient is the right decision The different stages of the propogation Does anyone has a recommended resource for that? Thanks submitted by /u/yehuda1033 [link] [comments]  ( 46 min )

Researchers make headway in solving a longstanding problem of balancing curious “exploration” versus “exploitation” of known pathways in reinforcement learning.  ( 10 min )

When legendary computer scientist Jim Gray accepted the Turing Award in 1999, he laid out a dozen long-range information technology research goals. One of those goals called for the creation of trouble-free server systems or, in Gray’s words, to “build a system used by millions of people each day and yet administered and managed by […] The post Cloud Intelligence/AIOps – Infusing AI into Cloud Computing Systems appeared first on Microsoft Research.  ( 14 min )

The holiday season is approaching, and GeForce NOW has everyone covered. This GFN Thursday brings an easy way to give the gift of gaming with GeForce NOW gift cards, for yourself or for a gamer in your life. Plus, stream 10 new games from the cloud this week, including the first story downloadable content (DLC) Read article > The post Give the Gift of Gaming With GeForce NOW Gift Cards appeared first on NVIDIA Blog.  ( 5 min )

Straight lines on a globe are not straight on a map, and straight lines on a map are not straight on a globe. A straight line on a globe is an arc of a great circle, the shortest path between two points. When projected onto a map, a straight path looks curved. Here’s an image […] Straight on a map or straight on a globe? first appeared on John D. Cook.  ( 5 min )

I am looking for US Ph.D. programs to apply to for Fall 2023. Does anyone know which universities have labs that are actively doing research in RL? Of course I am not talking about Unis such as CMU or Stanford, because my CV is probably not good enough for them. P.S. There is a post on the subject, but it's 4 years old: https://www.reddit.com/r/reinforcementlearning/comments/9cx9xw/grad_schools_with_good_programs_for_someone/?utm_source=share&utm_medium=android_app&utm_name=androidcss&utm_term=1&utm_content=share_button submitted by /u/QuestHunter123 [link] [comments]  ( 53 min )

Is there a way to define n-step returns in stable baseline PPO algorithm? For instance, I want to choose 3 step, 5 step etc, how do I input these parameters in the model itself before training? Thank you ​ EDIT: Is it done by controlling the value of lambda? For instance if lambda equals 0 it will weight more towards the 1 step return and if lambda equals 1, it will weight more towards long-term returns ? submitted by /u/Playful_Shop_8165 [link] [comments]  ( 53 min )

submitted by /u/gwern [link] [comments]  ( 51 min )

Companies need to collect huge volumes of data produced to extract valuable insights via data analysis to survive, let alone thrive in the competitive marketplace. It is the lifeblood of most business decisions, functions, and processes. But the process of data collection can be highly challenging for many organizations. The post Want Greater Business Efficiency? Map Your Smart Data Transformation Journey appeared first on Data Science Central.  ( 21 min )

Many scientific domains gather sufficient labels to train machine algorithms through human-in-the-loop techniques provided by the Zooniverse.org citizen science platform. As the range of projects, task types and data rates increase, acceleration of model training is of paramount concern to focus volunteer effort where most needed. The application of Transfer Learning (TL) between Zooniverse projects holds promise as a solution. However, understanding the effectiveness of TL approaches that pretrain on large-scale generic image sets vs. images with similar characteristics possibly from similar tasks is an open challenge. We apply a generative segmentation model on two Zooniverse project-based data sets: (1) to identify fat droplets in liver cells (FatChecker; FC) and (2) the identification of kelp beds in satellite images (Floating Forests; FF) through transfer learning from the first project. We compare and contrast its performance with a TL model based on the COCO image set, and subsequently with baseline counterparts. We find that both the FC and COCO TL models perform better than the baseline cases when using >75% of the original training sample size. The COCO-based TL model generally performs better than the FC-based one, likely due to its generalized features. Our investigations provide important insights into usage of TL approaches on multi-domain data hosted across different Zooniverse projects, enabling future projects to accelerate task completion.  ( 3 min )

This paper studies reinforcement learning (RL) in doubly inhomogeneous environments under temporal non-stationarity and subject heterogeneity. In a number of applications, it is commonplace to encounter datasets generated by system dynamics that may change over time and population, challenging high-quality sequential decision making. Nonetheless, most existing RL solutions require either temporal stationarity or subject homogeneity, which would result in sub-optimal policies if both assumptions were violated. To address both challenges simultaneously, we propose an original algorithm to determine the ``best data chunks" that display similar dynamics over time and across individuals for policy learning, which alternates between most recent change point detection and cluster identification. Our method is general, and works with a wide range of clustering and change point detection algorithms. It is multiply robust in the sense that it takes multiple initial estimators as input and only requires one of them to be consistent. Moreover, by borrowing information over time and population, it allows us to detect weaker signals and has better convergence properties when compared to applying the clustering algorithm per time or the change point detection algorithm per subject. Empirically, we demonstrate the usefulness of our method through extensive simulations and a real data application.  ( 2 min )

Federated learning (FL) on deep neural networks facilitates new applications at the edge, especially for wearable and Internet-of-Thing devices. Such devices capture a large and diverse amount of data, but they have memory, compute, power, and connectivity constraints which hinder their participation in FL. We propose Centaur, a multitier FL framework, enabling ultra-constrained devices to efficiently participate in FL on large neural nets. Centaur combines two major ideas: (i) a data selection scheme to choose a portion of samples that accelerates the learning, and (ii) a partition-based training algorithm that integrates both constrained and powerful devices owned by the same user. Evaluations, on four benchmark neural nets and three datasets, show that Centaur gains ~10% higher accuracy than local training on constrained devices with ~58% energy saving on average. Our experimental results also demonstrate the superior efficiency of Centaur when dealing with imbalanced data, client participation heterogeneity, and various network connection probabilities.  ( 2 min )

The problem of approximating the Pareto front of a multiobjective optimization problem can be reformulated as the problem of finding a set that maximizes the hypervolume indicator. This paper establishes the analytical expression of the Hessian matrix of the mapping from a (fixed size) collection of $n$ points in the $d$-dimensional decision space (or $m$ dimensional objective space) to the scalar hypervolume indicator value. To define the Hessian matrix, the input set is vectorized, and the matrix is derived by analytical differentiation of the mapping from a vectorized set to the hypervolume indicator. The Hessian matrix plays a crucial role in second-order methods, such as the Newton-Raphson optimization method, and it can be used for the verification of local optimal sets. So far, the full analytical expression was only established and analyzed for the relatively simple bi-objective case. This paper will derive the full expression for arbitrary dimensions ($m\geq2$ objective functions). For the practically important three-dimensional case, we also provide an asymptotically efficient algorithm with time complexity in $O(n\log n)$ for the exact computation of the Hessian Matrix' non-zero entries. We establish a sharp bound of $12m-6$ for the number of non-zero entries. Also, for the general $m$-dimensional case, a compact recursive analytical expression is established, and its algorithmic implementation is discussed. Also, for the general case, some sparsity results can be established; these results are implied by the recursive expression. To validate and illustrate the analytically derived algorithms and results, we provide a few numerical examples using Python and Mathematica implementations. Open-source implementations of the algorithms and testing data are made available as a supplement to this paper.  ( 3 min )

Graph Neural Networks (GNNs) have achieved great successes in many learning tasks performed on graph structures. Nonetheless, to propagate information GNNs rely on a message passing scheme which can become prohibitively expensive when working with industrial-scale graphs. Inspired by the PPRGo model, we propose the CorePPR model, a scalable solution that utilises a learnable convex combination of the approximate personalised PageRank and the CoreRank to diffuse multi-hop neighbourhood information in GNNs. Additionally, we incorporate a dynamic mechanism to select the most influential neighbours for a particular node which reduces training time while preserving the performance of the model. Overall, we demonstrate that CorePPR outperforms PPRGo, particularly on large graphs where selecting the most influential nodes is particularly relevant for scalability. Our code is publicly available at: https://github.com/arielramos97/CorePPR.  ( 2 min )

We focus on causal discovery in the presence of measurement error in linear systems where the mixing matrix, i.e., the matrix indicating the independent exogenous noise terms pertaining to the observed variables, is identified up to permutation and scaling of the columns. We demonstrate a somewhat surprising connection between this problem and causal discovery in the presence of unobserved parentless causes, in the sense that there is a mapping, given by the mixing matrix, between the underlying models to be inferred in these problems. Consequently, any identifiability result based on the mixing matrix for one model translates to an identifiability result for the other model. We characterize to what extent the causal models can be identified under a two-part faithfulness assumption. Under only the first part of the assumption (corresponding to the conventional definition of faithfulness), the structure can be learned up to the causal ordering among an ordered grouping of the variables but not all the edges across the groups can be identified. We further show that if both parts of the faithfulness assumption are imposed, the structure can be learned up to a more refined ordered grouping. As a result of this refinement, for the latent variable model with unobserved parentless causes, the structure can be identified. Based on our theoretical results, we propose causal structure learning methods for both models, and evaluate their performance on synthetic data.  ( 3 min )

AI methods are used in societally important settings, ranging from credit to employment to housing, and it is crucial to provide fairness in regard to algorithmic decision making. Moreover, many settings are dynamic, with populations responding to sequential decision policies. We introduce the study of reinforcement learning (RL) with stepwise fairness constraints, requiring group fairness at each time step. Our focus is on tabular episodic RL, and we provide learning algorithms with strong theoretical guarantees in regard to policy optimality and fairness violation. Our framework provides useful tools to study the impact of fairness constraints in sequential settings and brings up new challenges in RL.  ( 2 min )

The past few years have seen rapid progress in combining reinforcement learning (RL) with deep learning. Various breakthroughs ranging from games to robotics have spurred the interest in designing sophisticated RL algorithms and systems. However, the prevailing workflow in RL is to learn tabula rasa, which may incur computational inefficiency. This precludes continuous deployment of RL algorithms and potentially excludes researchers without large-scale computing resources. In many other areas of machine learning, the pretraining paradigm has shown to be effective in acquiring transferable knowledge, which can be utilized for a variety of downstream tasks. Recently, we saw a surge of interest in Pretraining for Deep RL with promising results. However, much of the research has been based on different experimental settings. Due to the nature of RL, pretraining in this field is faced with unique challenges and hence requires new design principles. In this survey, we seek to systematically review existing works in pretraining for deep reinforcement learning, provide a taxonomy of these methods, discuss each sub-field, and bring attention to open problems and future directions.  ( 2 min )

Pooling publicly-available MRI data from multiple sites allows to assemble extensive groups of subjects, increase statistical power, and promote data reuse with machine learning techniques. The harmonization of multicenter data is necessary to reduce the confounding effect associated with non-biological sources of variability in the data. However, when applied to the entire dataset before machine learning, the harmonization leads to data leakage, because information outside the training set may affect model building, and potentially falsely overestimate performance. We propose a 1) measurement of the efficacy of data harmonization; 2) harmonizer transformer, i.e., an implementation of the ComBat harmonization allowing its encapsulation among the preprocessing steps of a machine learning pipeline, avoiding data leakage. We tested these tools using brain T1-weighted MRI data from 1740 healthy subjects acquired at 36 sites. After harmonization, the site effect was removed or reduced, and we measured the data leakage effect in predicting individual age from MRI data, highlighting that introducing the harmonizer transformer into a machine learning pipeline allows for avoiding data leakage.

We provide the first sub-linear space and sub-linear regret algorithm for online learning with expert advice (against an oblivious adversary), addressing an open question raised recently by Srinivas, Woodruff, Xu and Zhou (STOC 2022). We also demonstrate a separation between oblivious and (strong) adaptive adversaries by proving a linear memory lower bound of any sub-linear regret algorithm against an adaptive adversary. Our algorithm is based on a novel pool selection procedure that bypasses the traditional wisdom of leader selection for online learning, and a generic reduction that transforms any weakly sub-linear regret $o(T)$ algorithm to $T^{1-\alpha}$ regret algorithm, which may be of independent interest. Our lower bound utilizes the connection of no-regret learning and equilibrium computation in zero-sum games, leading to a proof of a strong lower bound against an adaptive adversary.

In pursuit of faster computation, Efficient Transformers demonstrate an impressive variety of approaches -- models attaining sub-quadratic attention complexity can utilize a notion of sparsity or a low-rank approximation of inputs to reduce the number of attended keys; other ways to reduce complexity include locality-sensitive hashing, key pooling, additional memory to store information in compacted or hybridization with other architectures, such as CNN. Often based on a strong mathematical basis, kernelized approaches allow for the approximation of attention with linear complexity while retaining high accuracy. Therefore, in the present paper, we aim to expand the idea of trainable kernel methods to approximate the self-attention mechanism of the Transformer architecture.  ( 2 min )

Most semantic communication systems leverage deep learning models to provide end-to-end transmission performance surpassing the established source and channel coding approaches. While, so far, research has mainly focused on architecture and model improvements, but such a model trained over a full dataset and ergodic channel responses is unlikely to be optimal for every test instance. Due to limitations on the model capacity and imperfect optimization and generalization, such learned models will be suboptimal especially when the testing data distribution or channel response is different from that in the training phase, as is likely to be the case in practice. To tackle this, in this paper, we propose a novel semantic communication paradigm by leveraging the deep learning model's overfitting property. Our model can for instance be updated after deployment, which can further lead to substantial gains in terms of the transmission rate-distortion (RD) performance. This new system is named adaptive semantic communication (ASC). In our ASC system, the ingredients of wireless transmitted stream include both the semantic representations of source data and the adapted decoder model parameters. Specifically, we take the overfitting concept to the extreme, proposing a series of ingenious methods to adapt the semantic codec or representations to an individual data or channel state instance. The whole ASC system design is formulated as an optimization problem whose goal is to minimize the loss function that is a tripartite tradeoff among the data rate, model rate, and distortion terms. The experiments (including user study) verify the effectiveness and efficiency of our ASC system. Notably, the substantial gain of our overfitted coding paradigm can catalyze semantic communication upgrading to a new era.

Advanced LIGO and Advanced Virgo ground-based interferometers are poised to probe an unprecedentedly large volume of space, enhancing the discovery power of the observations to even new sources of gravitational wave emitters. In this scenario, the development of highly optimized gravitational wave detection algorithms is crucial. We propose a novel layered framework for real-time detection of gravitational waves inspired by speech processing techniques and, in the present implementation, based on a state-of-the-art machine learning approach involving a hybridization of genetic programming and neural networks. The key aspects of the newly proposed framework are: the well structured, layered approach, and the low computational complexity. The paper describes the basic concepts of the framework and the derivation of the first three layers. Even if, in the present implementation, the layers are based on models derived using a machine learning approach, the proposed layered structure has a universal nature. To train and test the models, we used simulated binary black hole gravitational wave waveforms in synthetic Gaussian noise representative of Advanced LIGO sensitivity design. Compared to more complex approaches, such as convolutional neural networks, our framework, even using the simple ground model described in the paper, has only a slightly lower performance, but with a much lower computational complexity and a higher degree of modularity. Furthermore, the underlying exploitation of short-term features makes the results of the new framework virtually independent against time-position of gravitational wave signals, simplifying its future exploitation in real-time multi-layer pipelines for gravitational-wave detection with second generation interferometers.

Hierarchical time series are common in several applied fields. Forecasts are required to be coherent, that is, to satisfy the constraints given by the hierarchy. The most popular technique to enforce coherence is called reconciliation, which adjusts the base forecasts computed for each time series. However, recent works on probabilistic reconciliation present several limitations. In this paper, we propose a new approach based on conditioning to reconcile any type of forecast distribution. We then introduce a new algorithm, called Bottom-Up Importance Sampling, to efficiently sample from the reconciled distribution. It can be used for any base forecast distribution: discrete, continuous, or in the form of samples, providing a major speedup compared to the current methods. Experiments on several temporal hierarchies show a significant improvement over base probabilistic forecasts.

Hybrid FSO/RF system requires an efficient FSO and RF link switching mechanism to improve the system capacity by realizing the complementary benefits of both the links. The dynamics of network conditions, such as fog, dust, and sand storms compound the link switching problem and control complexity. To address this problem, we initiate the study of deep reinforcement learning (DRL) for link switching of hybrid FSO/RF systems. Specifically, in this work, we focus on actor-critic called Actor/Critic-FSO/RF and Deep-Q network (DQN) called DQN-FSO/RF for FSO/RF link switching under atmospheric turbulences. To formulate the problem, we define the state, action, and reward function of a hybrid FSO/RF system. DQN-FSO/RF frequently updates the deployed policy that interacts with the environment in a hybrid FSO/RF system, resulting in high switching costs. To overcome this, we lift this problem to ensemble consensus-based representation learning for deep reinforcement called DQNEnsemble-FSO/RF. The proposed novel DQNEnsemble-FSO/RF DRL approach uses consensus learned features representations based on an ensemble of asynchronous threads to update the deployed policy. Experimental results corroborate that the proposed DQNEnsemble-FSO/RF's consensus-learned features switching achieves better performance than Actor/Critic-FSO/RF, DQN-FSO/RF, and MyOpic for FSO/RF link switching while keeping the switching cost significantly low.

We focus on an unloading problem, typical of the logistics sector, modeled as a sequential pick-and-place task. In this type of task, modern machine learning techniques have shown to work better than classic systems since they are more adaptable to stochasticity and better able to cope with large uncertainties. More specifically, supervised and imitation learning have achieved outstanding results in this regard, with the shortcoming of requiring some form of supervision which is not always obtainable for all settings. On the other hand, reinforcement learning (RL) requires much milder form of supervision but still remains impracticable due to its inefficiency. In this paper, we propose and theoretically motivate a novel Unsupervised Reward Shaping algorithm from expert's observations which relaxes the level of supervision required by the agent and works on improving RL performance in our task.

We present state advantage weighting for offline reinforcement learning (RL). In contrast to action advantage $A(s,a)$ that we commonly adopt in QSA learning, we leverage state advantage $A(s,s^\prime)$ and QSS learning for offline RL, hence decoupling the action from values. We expect the agent can get to the high-reward state and the action is determined by how the agent can get to that corresponding state. Experiments on D4RL datasets show that our proposed method can achieve remarkable performance against the common baselines. Furthermore, our method shows good generalization capability when transferring from offline to online.

In data-parallel optimization of machine learning models, workers collaborate to improve their estimates of the model: more accurate gradients allow them to use larger learning rates and optimize faster. We consider the setting in which all workers sample from the same dataset, and communicate over a sparse graph (decentralized). In this setting, current theory fails to capture important aspects of real-world behavior. First, the 'spectral gap' of the communication graph is not predictive of its empirical performance in (deep) learning. Second, current theory does not explain that collaboration enables larger learning rates than training alone. In fact, it prescribes smaller learning rates, which further decrease as graphs become larger, failing to explain convergence in infinite graphs. This paper aims to paint an accurate picture of sparsely-connected distributed optimization when workers share the same data distribution. We quantify how the graph topology influences convergence in a quadratic toy problem and provide theoretical results for general smooth and (strongly) convex objectives. Our theory matches empirical observations in deep learning, and accurately describes the relative merits of different graph topologies.

Multi-label classification is becoming increasingly ubiquitous, but not much attention has been paid to interpretability. In this paper, we develop a multi-label classifier that can be represented as a concise set of simple "if-then" rules, and thus, it offers better interpretability compared to black-box models. Notably, our method is able to find a small set of relevant patterns that lead to accurate multi-label classification, while existing rule-based classifiers are myopic and wasteful in searching rules,requiring a large number of rules to achieve high accuracy. In particular, we formulate the problem of choosing multi-label rules to maximize a target function, which considers not only discrimination ability with respect to labels, but also diversity. Accounting for diversity helps to avoid redundancy, and thus, to control the number of rules in the solution set. To tackle the said maximization problem we propose a 2-approximation algorithm, which relies on a novel technique to sample high-quality rules. In addition to our theoretical analysis, we provide a thorough experimental evaluation, which indicates that our approach offers a trade-off between predictive performance and interpretability that is unmatched in previous work.

Recent advances in spatial omics methods enable the molecular composition of human tumors to be imaged at micron-scale resolution across hundreds of patients and ten to thousands of molecular imaging channels. Large-scale molecular imaging datasets offer a new opportunity to understand how the spatial organization of proteins and cell types within a tumor modulate the response of a patient to different therapeutic strategies and offer potential insights into the design of novel therapies to increase patient response. However, spatial omics datasets require computational analysis methods that can scale to incorporate hundreds to thousands of imaging channels (ie colors) while enabling the extraction of molecular patterns that correlate with treatment responses across large number of patients with potentially heterogeneous tumors presentations. Here, we have develop a machine learning strategy for the identification and design of signaling molecule combinations that predict the degree of immune system engagement with a specific patient tumors. We specifically train a classifier to predict T cell distribution in patient tumors using the images from 30-40 molecular imaging channels. Second, we apply a gradient descent based counterfactual reasoning strategy to the classifier and discover combinations of signaling molecules predicted to increase T cell infiltration. Applied to spatial proteomics data of melanoma tumor, our model predicts that increasing the level of CXCL9, CXCL10, CXCL12, CCL19 and decreasing the level of CCL8 in melanoma tumor will increase T cell infiltration by 10-fold across a cohort of 69 patients. The model predicts that the combination is many fold more effective than single target perturbations. Our work provides a paradigm for machine learning based prediction and design of cancer therapeutics based on classification of immune system activity in spatial omics data.

This paper shows the implementation of reinforcement learning (RL) in commercial flowsheet simulator software (Aspen Plus V12) for designing and optimising a distillation sequence. The aim of the SAC agent was to separate a hydrocarbon mixture in its individual components by utilising distillation. While doing so it tries to maximise the profit produced by the distillation sequence. All actions of the agent were set by the SAC agent in Python and communicated in Aspen Plus via an API. Here the distillation column was simulated by use of the build-in RADFRAC column. With this a connection was established for data transfer between Python and Aspen and the agent succeeded to show learning behaviour, while increasing profit. Although results were generated, the use of Aspen was slow (190 hours) and Aspen was found unsuitable for parallelisation. This makes that Aspen is incompatible for solving RL problems. Code and thesis are available at https://github.com/lollcat/Aspen-RL

Diffusion probabilistic models have been recently used in a variety of tasks, including speech enhancement and synthesis. As a generative approach, diffusion models have been shown to be especially suitable for imputation problems, where missing data is generated based on existing data. Phase retrieval is inherently an imputation problem, where phase information has to be generated based on the given magnitude. In this work we build upon previous work in the speech domain, adapting a speech enhancement diffusion model specifically for STFT phase retrieval. Evaluation using speech quality and intelligibility metrics shows the diffusion approach is well-suited to the phase retrieval task, with performance surpassing both classical and modern methods.

We present a novel form of Fourier analysis, and associated signal processing concepts, for signals (or data) indexed by edge-weighted directed acyclic graphs (DAGs). This means that our Fourier basis yields an eigendecomposition of a suitable notion of shift and convolution operators that we define. DAGs are the common model to capture causal relationships between data values and in this case our proposed Fourier analysis relates data with its causes under a linearity assumption that we define. The definition of the Fourier transform requires the transitive closure of the weighted DAG for which several forms are possible depending on the interpretation of the edge weights. Examples include level of influence, distance, or pollution distribution. Our framework is different from prior GSP: it is specific to DAGs and leverages, and extends, the classical theory of Moebius inversion from combinatorics. For a prototypical application we consider DAGs modeling dynamic networks in which edges change over time. Specifically, we model the spread of an infection on such a DAG obtained from real-world contact tracing data and learn the infection signal from samples assuming sparsity in the Fourier domain.

The logit outputs of a feedforward neural network at initialization are conditionally Gaussian, given a random covariance matrix defined by the penultimate layer. In this work, we study the distribution of this random matrix. Recent work has shown that shaping the activation function as network depth grows large is necessary for this covariance matrix to be non-degenerate. However, the current infinite-width-style understanding of this shaping method is unsatisfactory for large depth: infinite-width analyses ignore the microscopic fluctuations from layer to layer, but these fluctuations accumulate over many layers. To overcome this shortcoming, we study the random covariance matrix in the shaped infinite-depth-and-width limit. We identify the precise scaling of the activation function necessary to arrive at a non-trivial limit, and show that the random covariance matrix is governed by a stochastic differential equation (SDE) that we call the Neural Covariance SDE. Using simulations, we show that the SDE closely matches the distribution of the random covariance matrix of finite networks. Additionally, we recover an if-and-only-if condition for exploding and vanishing norms of large shaped networks based on the activation function.

Latent variable models such as the Variational Auto-Encoder (VAE) have become a go-to tool for analyzing biological data, especially in the field of single-cell genomics. One remaining challenge is the interpretability of latent variables as biological processes that define a cell's identity. Outside of biological applications, this problem is commonly referred to as learning disentangled representations. Although several disentanglement-promoting variants of the VAE were introduced, and applied to single-cell genomics data, this task has been shown to be infeasible from independent and identically distributed measurements, without additional structure. Instead, recent methods propose to leverage non-stationary data, as well as the sparse mechanism shift assumption in order to learn disentangled representations with a causal semantic. Here, we extend the application of these methodological advances to the analysis of single-cell genomics data with genetic or chemical perturbations. More precisely, we propose a deep generative model of single-cell gene expression data for which each perturbation is treated as a stochastic intervention targeting an unknown, but sparse, subset of latent variables. We benchmark these methods on simulated single-cell data to evaluate their performance at latent units recovery, causal target identification and out-of-domain generalization. Finally, we apply those approaches to two real-world large-scale gene perturbation data sets and find that models that exploit the sparse mechanism shift hypothesis surpass contemporary methods on a transfer learning task. We implement our new model and benchmarks using the scvi-tools library, and release it as open-source software at \url{https://github.com/Genentech/sVAE}.

Privacy, security, and bandwidth constraints have led to federated learning (FL) in wireless systems, where training a machine learning (ML) model is accomplished collaboratively without sharing raw data. Often, such collaborative FL strategies necessitate model aggregation at a server. On the other hand, decentralized FL necessitates that participating clients reach a consensus ML model by exchanging parameter updates. In this work, we propose the over-the-air clustered wireless FL (CWFL) strategy, which eliminates the need for a strong central server and yet achieves an accuracy similar to the server-based strategy while using fewer channel uses as compared to decentralized FL. We theoretically show that the convergence rate of CWFL per cluster is O(1/T) while mitigating the impact of noise. Using the MNIST and CIFAR datasets, we demonstrate the accuracy performance of CWFL for the different number of clusters across communication rounds.

The advances in deep learning (DL) techniques have the potential to deliver transformative technological breakthroughs to numerous complex tasks in modern power systems that suffer from increasing uncertainty and nonlinearity. However, the vulnerability of DL has yet to be thoroughly explored in power system tasks under various physical constraints. This work, for the first time, proposes a novel physics-constrained backdoor poisoning attack, which embeds the undetectable attack signal into the learned model and only performs the attack when it encounters the corresponding signal. The paper illustrates the proposed attack on the real-time fault line localization application. Furthermore, the simulation results on the 68-bus power system demonstrate that DL-based fault line localization methods are not robust to our proposed attack, indicating that backdoor poisoning attacks pose real threats to DL implementations in power systems. The proposed attack pipeline can be easily generalized to other power system tasks.

The debate around misinformation and its potentially detrimental effects on public opinion is complex and multifaceted, to the extent that even the relevant academic research has not found unanimity on the prevalence and consumption of misinformation compared with mainstream content. The methodological framework presented here emphasises the importance of considering data representative of the complexity of the phenomenon and metrics that control for possible scale effects. By combining statistical, econometric and machine learning models, we shed light on the real impact of misinformation about a subject of general interest and social relevance, such as vaccines, on both the information available to citizens and their news diet. Our results show the prominent role achieved by misinformation sources in the news ecosystem, but also - and above all - the inability of mainstream media to drive the public debate over time on issues that are particularly sensitive and emotional. Taking properly account for the temporal dynamics of public debate seems crucial to prevent the latter from moving into uncontrolled spaces where false narratives are more easily conveyed and entrenched.

Given a dataset of expert agent interactions with an environment of interest, a viable method to extract an effective agent policy is to estimate the maximum likelihood policy indicated by this data. This approach is commonly referred to as behavioral cloning (BC). In this work, we describe a key disadvantage of BC that arises due to the maximum likelihood objective function; namely that BC is mean-seeking with respect to the state-conditional expert action distribution when the learner's policy is represented with a Gaussian. To address this issue, we introduce a modified version of BC, Adversarial Behavioral Cloning (ABC), that exhibits mode-seeking behavior by incorporating elements of GAN (generative adversarial network) training. We evaluate ABC on toy domains and a domain based on Hopper from the DeepMind Control suite, and show that it outperforms standard BC by being mode-seeking in nature.  ( 2 min )

Planet formation is a multi-scale process in which the coagulation of $\mathrm{\mu m}$-sized dust grains in protoplanetary disks is strongly influenced by the hydrodynamic processes on scales of astronomical units ($\approx 1.5\times 10^8 \,\mathrm{km}$). Studies are therefore dependent on subgrid models to emulate the micro physics of dust coagulation on top of a large scale hydrodynamic simulation. Numerical simulations which include the relevant physical effects are complex and computationally expensive. Here, we present a fast and accurate learned effective model for dust coagulation, trained on data from high resolution numerical coagulation simulations. Our model captures details of the dust coagulation process that were so far not tractable with other dust coagulation prescriptions with similar computational efficiency.  ( 2 min )

Despite the huge advancement in knowledge discovery and data mining techniques, the X-ray diffraction (XRD) analysis process has mostly remained untouched and still involves manual investigation, comparison, and verification. Due to the large volume of XRD samples from high-throughput XRD experiments, it has become impossible for domain scientists to process them manually. Recently, they have started leveraging standard clustering techniques, to reduce the XRD pattern representations requiring manual efforts for labeling and verification. Nevertheless, these standard clustering techniques do not handle problem-specific aspects such as peak shifting, adjacent peaks, background noise, and mixed phases; hence, resulting in incorrect composition-phase diagrams that complicate further steps. Here, we leverage data mining techniques along with domain expertise to handle these issues. In this paper, we introduce an incremental phase mapping approach based on binary peak representations using a new threshold based fuzzy dissimilarity measure. The proposed approach first applies an incremental phase computation algorithm on discrete binary peak representation of XRD samples, followed by hierarchical clustering or manual merging of similar pure phases to obtain the final composition-phase diagram. We evaluate our method on the composition space of two ternary alloy systems- Co-Ni-Ta and Co-Ti-Ta. Our results are verified by domain scientists and closely resembles the manually computed ground-truth composition-phase diagrams. The proposed approach takes us closer towards achieving the goal of complete end-to-end automated XRD analysis.  ( 3 min )

Counterfactual explanations promote explainability in machine learning models by answering the question "how should an input instance be perturbed to obtain a desired predicted label?". The comparison of this instance before and after perturbation can enhance human interpretation. Most existing studies on counterfactual explanations are limited in tabular data or image data. In this work, we study the problem of counterfactual explanation generation on graphs. A few studies have explored counterfactual explanations on graphs, but many challenges of this problem are still not well-addressed: 1) optimizing in the discrete and disorganized space of graphs; 2) generalizing on unseen graphs; and 3) maintaining the causality in the generated counterfactuals without prior knowledge of the causal model. To tackle these challenges, we propose a novel framework CLEAR which aims to generate counterfactual explanations on graphs for graph-level prediction models. Specifically, CLEAR leverages a graph variational autoencoder based mechanism to facilitate its optimization and generalization, and promotes causality by leveraging an auxiliary variable to better identify the underlying causal model. Extensive experiments on both synthetic and real-world graphs validate the superiority of CLEAR over the state-of-the-art methods in different aspects.

Large language models have demonstrated the ability to condition on and generate both natural language and programming language text. Such models open up the possibility of multi-language code generation: could code generation models generalize knowledge from one language to another? Although contemporary code generation models can generate semantically correct Python code, little is known about their abilities with other languages. We facilitate the exploration of this topic by proposing MultiPL-E, the first multi-language parallel benchmark for natural-language-to-code-generation. MultiPL-E extends the HumanEval benchmark (Chen et al, 2021) to support 18 more programming languages, encompassing a range of programming paradigms and popularity. We evaluate two state-of-the-art code generation models on MultiPL-E: Codex and InCoder. We find that on several languages, Codex matches and even exceeds its performance on Python. The range of programming languages represented in MultiPL-E allow us to explore the impact of language frequency and language features on model performance. Finally, the MultiPL-E approach of compiling code generation benchmarks to new programming languages is both scalable and extensible. We describe a general approach for easily adding support for new benchmarks and languages to MultiPL-E.

Recently methods of graph neural networks (GNNs) have been applied to solving the problems in high energy physics (HEP) and have shown its great potential for quark-gluon tagging with graph representation of jet events. In this paper, we introduce an approach of GNNs combined with a HaarPooling operation to analyze the events, called HaarPooling Message Passing neural network (HMPNet). In HMPNet, HaarPooling not only extract the features of graph, but also embed additional information obtained by clustering of k-means of different particle observables. We construct Haarpooling from three different observables: absolute energy $\log E$, transverse momentum $\log p_T$ , and relative coordinates $(\Delta\eta,\Delta\phi)$, then discuss their impacts on the tagging and compare the results with those obtained via MPNN and ParticleNet (PN). The results show that an appropriate selection of information for HaarPooling enhance the accuracy of quark-gluon tagging, for adding extra information of $\log P_T$ to the HMPNet outperforms all the others, meanwhile adding relative coordinates information $(\Delta\eta,\Delta\phi)$ is not very beneficial.

Autonomous navigation in crowded spaces poses a challenge for mobile robots due to the highly dynamic, partially observable environment. Occlusions are highly prevalent in such settings due to a limited sensor field of view and obstructing human agents. Previous work has shown that observed interactive behaviors of human agents can be used to estimate potential obstacles despite occlusions. We propose integrating such social inference techniques into the planning pipeline. We use a variational autoencoder with a specially designed loss function to learn representations that are meaningful for occlusion inference. This work adopts a deep reinforcement learning approach to incorporate the learned representation for occlusion-aware planning. In simulation, our occlusion-aware policy achieves comparable collision avoidance performance to fully observable navigation by estimating agents in occluded spaces. We demonstrate successful policy transfer from simulation to the real-world Turtlebot 2i. To the best of our knowledge, this work is the first to use social occlusion inference for crowd navigation.

Data depth, introduced by Tukey (1975), is an important tool in data science, robust statistics, and computational geometry. One chief barrier to its broader practical utility is that many common measures of depth are computationally intensive, requiring on the order of $n^d$ operations to exactly compute the depth of a single point within a data set of $n$ points in $d$-dimensional space. Often however, we are not directly interested in the absolute depths of the points, but rather in their \textit{relative ordering}. For example, we may want to find the most central point in a data set (a generalized median), or to identify and remove all outliers (points on the fringe of the data set with low depth). With this observation, we develop a novel and instance-adaptive algorithm for adaptive data depth computation by reducing the problem of exactly computing $n$ depths to an $n$-armed stochastic multi-armed bandit problem which we can efficiently solve. We focus our exposition on simplicial depth, developed by \citet{liu1990notion}, which has emerged as a promising notion of depth due to its interpretability and asymptotic properties. We provide general instance-dependent theoretical guarantees for our proposed algorithms, which readily extend to many other common measures of data depth including majority depth, Oja depth, and likelihood depth. When specialized to the case where the gaps in the data follow a power law distribution with parameter $\alpha<2$, we show that we can reduce the complexity of identifying the deepest point in the data set (the simplicial median) from $O(n^d)$ to $\tilde{O}(n^{d-(d-1)\alpha/2})$, where $\tilde{O}$ suppresses logarithmic factors. We corroborate our theoretical results with numerical experiments on synthetic data, showing the practical utility of our proposed methods.

When Deep Neural Networks (DNNs) are used in safety-critical systems, engineers should determine the safety risks associated with failures (i.e., erroneous outputs) observed during testing. For DNNs processing images, engineers visually inspect all failure-inducing images to determine common characteristics among them. Such characteristics correspond to hazard-triggering events (e.g., low illumination) that are essential inputs for safety analysis. Though informative, such activity is expensive and error-prone. To support such safety analysis practices, we propose SEDE, a technique that generates readable descriptions for commonalities in failure-inducing, real-world images and improves the DNN through effective retraining. SEDE leverages the availability of simulators, which are commonly used for cyber-physical systems. It relies on genetic algorithms to drive simulators towards the generation of images that are similar to failure-inducing, real-world images in the test set; it then employs rule learning algorithms to derive expressions that capture commonalities in terms of simulator parameter values. The derived expressions are then used to generate additional images to retrain and improve the DNN. With DNNs performing in-car sensing tasks, SEDE successfully characterized hazard-triggering events leading to a DNN accuracy drop. Also, SEDE enabled retraining leading to significant improvements in DNN accuracy, up to 18 percentage points.

Several techniques to map various types of components, such as words, attributes, and images, into the embedded space have been studied. Most of them estimate the embedded representation of target entity as a point in the projective space. Some models, such as Word2Gauss, assume a probability distribution behind the embedded representation, which enables the spread or variance of the meaning of embedded target components to be captured and considered in more detail. We examine the method of estimating embedded representations as probability distributions for the interpretation of fashion-specific abstract and difficult-to-understand terms. Terms, such as "casual," "adult-casual,'' "beauty-casual," and "formal," are extremely subjective and abstract and are difficult for both experts and non-experts to understand, which discourages users from trying new fashion. We propose an end-to-end model called dual Gaussian visual-semantic embedding, which maps images and attributes in the same projective space and enables the interpretation of the meaning of these terms by its broad applications. We demonstrate the effectiveness of the proposed method through multifaceted experiments involving image and attribute mapping, image retrieval and re-ordering techniques, and a detailed theoretical/analytical discussion of the distance measure included in the loss function.

We consider a Bayesian forecast aggregation model where $n$ experts, after observing private signals about an unknown binary event, report their posterior beliefs about the event to a principal, who then aggregates the reports into a single prediction for the event. The signals of the experts and the outcome of the event follow a joint distribution that is unknown to the principal, but the principal has access to i.i.d. "samples" from the distribution, where each sample is a tuple of experts' reports (not signals) and the realization of the event. Using these samples, the principal aims to find an $\varepsilon$-approximately optimal aggregator, where optimality is measured in terms of the expected squared distance between the aggregated prediction and the realization of the event. We show that the sample complexity of this problem is at least $\tilde \Omega(m^{n-2} / \varepsilon)$ for arbitrary discrete distributions, where $m$ is the size of each expert's signal space. This sample complexity grows exponentially in the number of experts $n$. But, if experts' signals are independent conditioned on the realization of the event, then the sample complexity is significantly reduced, to $\tilde O(1 / \varepsilon^2)$, which does not depend on $n$. Finally, we generalize our model to non-binary events and obtain sample complexity bounds that depend on the event space size.

Polynomial kernels are among the most popular kernels in machine learning, since their feature maps model the interactions between the dimensions of the input data. However, these features correspond to tensor products of the input with itself, which makes their dimension grow exponentially with the polynomial degree. We address this issue by proposing Complexto-Real (CtR) sketches for tensor products that can be used as random feature approximations of polynomial kernels. These sketches leverage intermediate complex random projections, leading to better theoretical guarantees and potentially much lower variances than analogs using real projections. Our sketches are simple to construct and their final output is real-valued, which makes their downstream use straightforward. Finally, we show that they achieve state-of-the-art performance in terms of accuracy and speed.

Since the traffic conditions change over time, machine learning models that predict traffic flows must be updated continuously and efficiently in smart public transportation. Federated learning (FL) is a distributed machine learning scheme that allows buses to receive model updates without waiting for model training on the cloud. However, FL is vulnerable to poisoning or DDoS attacks since buses travel in public. Some work introduces blockchain to improve reliability, but the additional latency from the consensus process reduces the efficiency of FL. Asynchronous Federated Learning (AFL) is a scheme that reduces the latency of aggregation to improve efficiency, but the learning performance is unstable due to unreasonably weighted local models. To address the above challenges, this paper offers a blockchain-based asynchronous federated learning scheme with a dynamic scaling factor (DBAFL). Specifically, the novel committee-based consensus algorithm for blockchain improves reliability at the lowest possible cost of time. Meanwhile, the devised dynamic scaling factor allows AFL to assign reasonable weights to stale local models. Extensive experiments conducted on heterogeneous devices validate outperformed learning performance, efficiency, and reliability of DBAFL.

We introduce the Few-Shot Object Learning (FewSOL) dataset for object recognition with a few images per object. We captured 336 real-world objects with 9 RGB-D images per object from different views. Object segmentation masks, object poses and object attributes are provided. In addition, synthetic images generated using 330 3D object models are used to augment the dataset. We investigated (i) few-shot object classification and (ii) joint object segmentation and few-shot classification with the state-of-the-art methods for few-shot learning and meta-learning using our dataset. The evaluation results show that there is still a large margin to be improved for few-shot object classification in robotic environments. Our dataset can be used to study a set of few-shot object recognition problems such as classification, detection and segmentation, shape reconstruction, pose estimation, keypoint correspondences and attribute recognition. The dataset and code are available at https://irvlutd.github.io/FewSOL.

Transformers can learn to perform numerical computations from examples only. I study nine problems of linear algebra, from basic matrix operations to eigenvalue decomposition and inversion, and introduce and discuss four encoding schemes to represent real numbers. On all problems, transformers trained on sets of random matrices achieve high accuracies (over 90%). The models are robust to noise, and can generalize out of their training distribution. In particular, models trained to predict Laplace-distributed eigenvalues generalize to different classes of matrices: Wigner matrices or matrices with positive eigenvalues. The reverse is not true.

While preference modelling is becoming one of the pillars of machine learning, the problem of preference explanation remains challenging and underexplored. In this paper, we propose \textsc{Pref-SHAP}, a Shapley value-based model explanation framework for pairwise comparison data. We derive the appropriate value functions for preference models and further extend the framework to model and explain \emph{context specific} information, such as the surface type in a tennis game. To demonstrate the utility of \textsc{Pref-SHAP}, we apply our method to a variety of synthetic and real-world datasets and show that richer and more insightful explanations can be obtained over the baseline.

Linear structural causal models (SCMs) -- in which each observed variable is generated by a subset of the other observed variables as well as a subset of the exogenous sources -- are pervasive in causal inference and casual discovery. However, for the task of causal discovery, existing work almost exclusively focus on the submodel where each observed variable is associated with a distinct source with non-zero variance. This results in the restriction that no observed variable can deterministically depend on other observed variables or latent confounders. In this paper, we extend the results on structure learning by focusing on a subclass of linear SCMs which do not have this property, i.e., models in which observed variables can be causally affected by any subset of the sources, and are allowed to be a deterministic function of other observed variables or latent confounders. This allows for a more realistic modeling of influence or information propagation in systems. We focus on the task of causal discovery form observational data generated from a member of this subclass. We derive a set of necessary and sufficient conditions for unique identifiability of the causal structure. To the best of our knowledge, this is the first work that gives identifiability results for causal discovery under both latent confounding and deterministic relationships. Further, we propose an algorithm for recovering the underlying causal structure when the aforementioned conditions are satisfied. We validate our theoretical results both on synthetic and real datasets.

We consider the algorithmic problem of finding the optimal weights and biases for a two-layer fully connected neural network to fit a given set of data points. This problem is known as empirical risk minimization in the machine learning community. We show that the problem is $\exists\mathbb{R}$-complete. This complexity class can be defined as the set of algorithmic problems that are polynomial-time equivalent to finding real roots of a polynomial with integer coefficients. Furthermore, we show that arbitrary algebraic numbers are required as weights to be able to train some instances to optimality, even if all data points are rational. Our results hold even if the following restrictions are all added simultaneously. $\bullet$ There are exactly two output neurons. $\bullet$ There are exactly two input neurons. $\bullet$ The data has only 13 different labels. $\bullet$ The number of hidden neurons is a constant fraction of the number of data points. $\bullet$ The target training error is zero. $\bullet$ The ReLU activation function is used. This shows that even very simple networks are difficult to train. The result explains why typical methods for $\mathsf{NP}$-complete problems, like mixed-integer programming or SAT-solving, cannot train neural networks to global optimality, unless $\mathsf{NP}=\exists\mathbb{R}$. We strengthen a recent result by Abrahamsen, Kleist and Miltzow [NeurIPS 2021].

Nonnegative Tucker Factorization (NTF) minimizes the euclidean distance or Kullback-Leibler divergence between the original data and its low-rank approximation which often suffers from grossly corruptions or outliers and the neglect of manifold structures of data. In particular, NTF suffers from rotational ambiguity, whose solutions with and without rotation transformations are equally in the sense of yielding the maximum likelihood. In this paper, we propose three Robust Manifold NTF algorithms to handle outliers by incorporating structural knowledge about the outliers. They first applies a half-quadratic optimization algorithm to transform the problem into a general weighted NTF where the weights are influenced by the outliers. Then, we introduce the correntropy induced metric, Huber function and Cauchy function for weights respectively, to handle the outliers. Finally, we introduce a manifold regularization to overcome the rotational ambiguity of NTF. We have compared the proposed method with a number of representative references covering major branches of NTF on a variety of real-world image databases. Experimental results illustrate the effectiveness of the proposed method under two evaluation metrics (accuracy and nmi).  ( 2 min )

Recently, graph neural networks (GNNs) have achieved remarkable performances for quantum mechanical problems. However, a graph convolution can only cover a localized region, and cannot capture long-range interactions of atoms. This behavior is contrary to theoretical interatomic potentials, which is a fundamental limitation of the spatial based GNNs. In this work, we propose a novel attention-based framework for molecular property prediction tasks. We represent a molecular conformation as a discrete atomic sequence combined by atom-atom distance attributes, named Geometry-aware Transformer (GeoT). In particular, we adopt a Transformer architecture, which has been widely used for sequential data. Our proposed model trains sequential representations of molecular graphs based on globally constructed attentions, maintaining all spatial arrangements of atom pairs. Our method does not suffer from cost intensive computations, such as angle calculations. The experimental results on several public benchmarks and visualization maps verified that keeping the long-range interatomic attributes can significantly improve the model predictability.

In a spoofing attack, an attacker impersonates a legitimate user to access or tamper with data intended for or produced by the legitimate user. In wireless communication systems, these attacks may be detected by relying on features of the channel and transmitter radios. In this context, a popular approach is to exploit the dependence of the received signal strength (RSS) at multiple receivers or access points with respect to the spatial location of the transmitter. Existing schemes rely on long-term estimates, which makes it difficult to distinguish spoofing from movement of a legitimate user. This limitation is here addressed by means of a deep neural network that implicitly learns the distribution of pairs of short-term RSS vector estimates. The adopted network architecture imposes the invariance to permutations of the input (commutativity) that the decision problem exhibits. The merits of the proposed algorithm are corroborated on a data set that we collected.

Discovering governing equations of a physical system, represented by partial differential equations (PDEs), from data is a central challenge in a variety of areas of science and engineering. Current methods require either some prior knowledge (e.g., candidate PDE terms) to discover the PDE form, or a large dataset to learn a surrogate model of the PDE solution operator. Here, we propose the first solution operator learning method that only needs one PDE solution, i.e., one-shot learning. We first decompose the entire computational domain into small domains, where we learn a local solution operator, and then we find the coupled solution via either mesh-based fixed-point iteration or meshfree local-solution-operator informed neural networks. We demonstrate the effectiveness of our method on different PDEs, and our method exhibits a strong generalization property.

Applying machine learning (ML) to sensitive domains requires privacy protection of the underlying training data through formal privacy frameworks, such as differential privacy (DP). Yet, usually, the privacy of the training data comes at the cost of the resulting ML models' utility. One reason for this is that DP uses one uniform privacy budget epsilon for all training data points, which has to align with the strictest privacy requirement encountered among all data holders. In practice, different data holders have different privacy requirements and data points of data holders with lower requirements can contribute more information to the training process of the ML models. To account for this need, we propose two novel methods based on the Private Aggregation of Teacher Ensembles (PATE) framework to support the training of ML models with individualized privacy guarantees. We formally describe the methods, provide a theoretical analysis of their privacy bounds, and experimentally evaluate their effect on the final model's utility using the MNIST, SVHN, and Adult income datasets. Our empirical results show that the individualized privacy methods yield ML models of higher accuracy than the non-individualized baseline. Thereby, we improve the privacy-utility trade-off in scenarios in which different data holders consent to contribute their sensitive data at different individual privacy levels.

Bilevel programming has recently received attention in the literature, due to a wide range of applications, including reinforcement learning and hyper-parameter optimization. However, it is widely assumed that the underlying bilevel optimization problem is solved either by a single machine or in the case of multiple machines connected in a star-shaped network, i.e., federated learning setting. The latter approach suffers from a high communication cost on the central node (e.g., parameter server) and exhibits privacy vulnerabilities. Hence, it is of interest to develop methods that solve bilevel optimization problems in a communication-efficient decentralized manner. To that end, this paper introduces a penalty function based decentralized algorithm with theoretical guarantees for this class of optimization problems. Specifically, a distributed alternating gradient-type algorithm for solving consensus bilevel programming over a decentralized network is developed. A key feature of the proposed algorithm is to estimate the hyper-gradient of the penalty function via decentralized computation of matrix-vector products and few vector communications, which is then integrated within our alternating algorithm to give the finite-time convergence analysis under different convexity assumptions. Owing to the generality of this complexity analysis, our result yields convergence rates for a wide variety of consensus problems including minimax and compositional optimization. Empirical results on both synthetic and real datasets demonstrate that the proposed method works well in practice.  ( 2 min )

Motivated by recent success of Machine Learning (ML) tools in wireless communications, the idea of semantic communication by Weaver from 1949 has received considerable attention. It breaks with the classic design paradigm of Shannon by aiming to transmit the meaning of a message, i.e., semantics, rather than its exact copy and thus allows for savings in channel uses or information rate. In this work, we extend the fundamental approach from Basu et al. for modeling semantics from logical to probabilistic entailment relations between meaning and messages. Thus, we model semantics by means of a hidden random variable and define the task of semantic communication as transmission of messages over a communication channel such that semantics is best preserved. We formulate the semantic communication design either as an Information Maximization or as an Information Bottleneck optimization problem. Finally, we propose the ML-based semantic communication system SINFONI for a distributed multipoint scenario: SINFONI communicates the meaning behind multiple messages that are observed at different senders to a single receiver for semantic retrieval. We analyze SINFONI by processing images as an example of messages. Numerical results reveal a tremendous rate normalized SNR shift up to 20 dB compared to classically designed communication systems.

In this study, we propose a global optimization algorithm based on quantizing the energy level of an objective function in an NP-hard problem. According to the white noise hypothesis for a quantization error with a dense and uniform distribution, we can regard the quantization error as i.i.d. white noise. From stochastic analysis, the proposed algorithm converges weakly only under conditions satisfying Lipschitz continuity, instead of local convergence properties such as the Hessian constraint of the objective function. This shows that the proposed algorithm ensures global optimization by Laplace's condition. Numerical experiments show that the proposed algorithm outperforms conventional learning methods in solving NP-hard optimization problems such as the traveling salesman problem.  ( 2 min )

Word order, an essential property of natural languages, is injected in Transformer-based neural language models using position encoding. However, recent experiments have shown that explicit position encoding is not always useful, since some models without such feature managed to achieve state-of-the art performance on some tasks. To understand better this phenomenon, we examine the effect of removing position encodings on the pre-training objective itself (i.e., masked language modelling), to test whether models can reconstruct position information from co-occurrences alone. We do so by controlling the amount of masked tokens in the input sentence, as a proxy to affect the importance of position information for the task. We find that the necessity of position information increases with the amount of masking, and that masked language models without position encodings are not able to reconstruct this information on the task. These findings point towards a direct relationship between the amount of masking and the ability of Transformers to capture order-sensitive aspects of language using position encoding.

While $\ell_2$ regularization is widely used in training gradient boosted trees, popular individualized feature attribution methods for trees such as Saabas and TreeSHAP overlook the training procedure. We propose Prediction Decomposition Attribution (PreDecomp), a novel individualized feature attribution for gradient boosted trees when they are trained with $\ell_2$ regularization. Theoretical analysis shows that the inner product between PreDecomp and labels on in-sample data is essentially the total gain of a tree, and that it can faithfully recover additive models in the population case when features are independent. Inspired by the connection between PreDecomp and total gain, we also propose TreeInner, a family of debiased global feature attributions defined in terms of the inner product between any individualized feature attribution and labels on out-sample data for each tree. Numerical experiments on a simulated dataset and a genomic ChIP dataset show that TreeInner has state-of-the-art feature selection performance. Code reproducing experiments is available at https://github.com/nalzok/TreeInner .

Sampling-based inference techniques are central to modern cosmological data analysis; these methods, however, scale poorly with dimensionality and typically require approximate or intractable likelihoods. In this paper we describe how Truncated Marginal Neural Ratio Estimation (TMNRE) (a new approach in so-called simulation-based inference) naturally evades these issues, improving the $(i)$ efficiency, $(ii)$ scalability, and $(iii)$ trustworthiness of the inferred posteriors. Using measurements of the Cosmic Microwave Background (CMB), we show that TMNRE can achieve converged posteriors using orders of magnitude fewer simulator calls than conventional Markov Chain Monte Carlo (MCMC) methods. Remarkably, the required number of samples is effectively independent of the number of nuisance parameters. In addition, a property called \emph{local amortization} allows the performance of rigorous statistical consistency checks that are not accessible to sampling-based methods. TMNRE promises to become a powerful tool for cosmological data analysis, particularly in the context of extended cosmologies, where the timescale required for conventional sampling-based inference methods to converge can greatly exceed that of simple cosmological models such as $\Lambda$CDM. To perform these computations, we use an implementation of TMNRE via the open-source code \texttt{swyft}.

Owing to the widespread adoption of the Internet of Things, a vast amount of sensor information is being acquired in real time. Accordingly, the communication cost of data from edge devices is increasing. Compressed sensing (CS), a data compression method that can be used on edge devices, has been attracting attention as a method to reduce communication costs. In CS, estimating the appropriate compression ratio is important. There is a method to adaptively estimate the compression ratio for the acquired data using reinforcement learning. However, the computational costs associated with existing reinforcement learning methods that can be utilized on edges are expensive. In this study, we developed an efficient reinforcement learning method for edge devices, referred to as the actor--critic online sequential extreme learning machine (AC-OSELM), and a system to compress data by estimating an appropriate compression ratio on the edge using AC-OSELM. The performance of the proposed method in estimating the compression ratio is evaluated by comparing it with other reinforcement learning methods for edge devices. The experimental results show that AC-OSELM achieved the same or better compression performance and faster compression ratio estimation than the existing methods.

We consider private federated learning (FL), where a server aggregates differentially private gradient updates from a large number of clients in order to train a machine learning model. The main challenge is balancing privacy with both classification accuracy of the learned model as well as the amount of communication between the clients and server. In this work, we build on a recently proposed method for communication-efficient private FL -- the MVU mechanism -- by introducing a new interpolation mechanism that can accommodate a more efficient privacy analysis. The result is the new Interpolated MVU mechanism that provides SOTA results on communication-efficient private FL on a variety of datasets.  ( 2 min )

Estimating treatment effects from observational data is a central problem in causal inference. Methods to solve this problem exploit inductive biases and heuristics from causal inference to design multi-head neural network architectures and regularizers. In this work, we propose to use neurosymbolic program synthesis, a data-efficient, and interpretable technique, to solve the treatment effect estimation problem. We theoretically show that neurosymbolic programming can solve the treatment effect estimation problem. By designing a Domain Specific Language (DSL) for treatment effect estimation problem based on the inductive biases used in literature, we argue that neurosymbolic programming is a better alternative to treatment effect estimation than traditional methods. Our empirical study reveals that our method, which implicitly encodes inductive biases in a DSL, achieves better performance on benchmark datasets than the state-of-the-art methods.

In this paper, we take a first step towards answering the question of how to design fair machine learning algorithms that are robust to adversarial attacks. Using a minimax framework, we aim to design an adversarially robust fair regression model that achieves optimal performance in the presence of an attacker who is able to add a carefully designed adversarial data point to the dataset or perform a rank-one attack on the dataset. By solving the proposed nonsmooth nonconvex-nonconcave minimax problem, the optimal adversary as well as the robust fairness-aware regression model are obtained. For both synthetic data and real-world datasets, numerical results illustrate that the proposed adversarially robust fair models have better performance on poisoned datasets than other fair machine learning models in both prediction accuracy and group-based fairness measure.

A matrix free and a low rank approximation preconditioner are proposed to accelerate the convergence of stochastic gradient descent (SGD) by exploiting curvature information sampled from Hessian-vector products or finite differences of parameters and gradients similar to the BFGS algorithm. Both preconditioners are fitted with an online updating manner minimizing a criterion that is free of line search and robust to stochastic gradient noise, and further constrained to be on certain connected Lie groups to preserve their corresponding symmetry or invariance, e.g., orientation of coordinates by the connected general linear group with positive determinants. The Lie group's equivariance property facilitates preconditioner fitting, and its invariance property saves any need of damping, which is common in second-order optimizers, but difficult to tune. The learning rate for parameter updating and step size for preconditioner fitting are naturally normalized, and their default values work well in most situations.

We propose in this work the gradient-enhanced deep neural networks (DNNs) approach for function approximations and uncertainty quantification. More precisely, the proposed approach adopts both the function evaluations and the associated gradient information to yield enhanced approximation accuracy. In particular, the gradient information is included as a regularization term in the gradient-enhanced DNNs approach, for which we present similar posterior estimates (by the two-layer neural networks) as those in the path-norm regularized DNNs approximations. We also discuss the application of this approach to gradient-enhanced uncertainty quantification, and present several numerical experiments to show that the proposed approach can outperform the traditional DNNs approach in many cases of interests.

We seek to impose linear, equality constraints in feedforward neural networks. As top layer predictors are usually nonlinear, this is a difficult task if we seek to deploy standard convex optimization methods and strong duality. To overcome this, we introduce a new saddle-point Lagrangian with auxiliary predictor variables on which constraints are imposed. Elimination of the auxiliary variables leads to a dual minimization problem on the Lagrange multipliers introduced to satisfy the linear constraints. This minimization problem is combined with the standard learning problem on the weight matrices. From this theoretical line of development, we obtain the surprising interpretation of Lagrange parameters as additional, penultimate layer hidden units with fixed weights stemming from the constraints. Consequently, standard minimization approaches can be used despite the inclusion of Lagrange parameters -- a very satisfying, albeit unexpected, discovery. Examples ranging from multi-label classification to constrained autoencoders are envisaged in the future.

This study investigates clustered federated learning (FL), one of the formulations of FL with non-i.i.d. data, where the devices are partitioned into clusters and each cluster optimally fits its data with a localized model. We propose a novel clustered FL framework, which applies a nonconvex penalty to pairwise differences of parameters. This framework can automatically identify clusters without a priori knowledge of the number of clusters and the set of devices in each cluster. To implement the proposed framework, we develop a novel clustered FL method called FPFC. Advancing from the standard ADMM, our method is implemented in parallel, updates only a subset of devices at each communication round, and allows each participating device to perform a variable amount of work. This greatly reduces the communication cost while simultaneously preserving privacy, making it practical for FL. We also propose a new warmup strategy for hyperparameter tuning under FL settings and consider the asynchronous variant of FPFC (asyncFPFC). Theoretically, we provide convergence guarantees of FPFC for general nonconvex losses and establish the statistical convergence rate under a linear model with squared loss. Our extensive experiments demonstrate the advantages of FPFC over existing methods.

Differentially private data generation techniques have become a promising solution to the data privacy challenge -- it enables sharing of data while complying with rigorous privacy guarantees, which is essential for scientific progress in sensitive domains. Unfortunately, restricted by the inherent complexity of modeling high-dimensional distributions, existing private generative models are struggling with the utility of synthetic samples. In contrast to existing works that aim at fitting the complete data distribution, we directly optimize for a small set of samples that are representative of the distribution under the supervision of discriminative information from downstream tasks, which is generally an easier task and more suitable for private training. Our work provides an alternative view for differentially private generation of high-dimensional data and introduces a simple yet effective method that greatly improves the sample utility of state-of-the-art approaches.

The geospace environment is volatile and highly driven. Space weather has effects on Earth's magnetosphere that cause a dynamic and enigmatic response in the thermosphere, particularly on the evolution of neutral mass density. Many models exist that use space weather drivers to produce a density response, but these models are typically computationally expensive or inaccurate for certain space weather conditions. In response, this work aims to employ a probabilistic machine learning (ML) method to create an efficient surrogate for the Thermosphere Ionosphere Electrodynamics General Circulation Model (TIE-GCM), a physics-based thermosphere model. Our method leverages principal component analysis to reduce the dimensionality of TIE-GCM and recurrent neural networks to model the dynamic behavior of the thermosphere much quicker than the numerical model. The newly developed reduced order probabilistic emulator (ROPE) uses Long-Short Term Memory neural networks to perform time-series forecasting in the reduced state and provide distributions for future density. We show that across the available data, TIE-GCM ROPE has similar error to previous linear approaches while improving storm-time modeling. We also conduct a satellite propagation study for the significant November 2003 storm which shows that TIE-GCM ROPE can capture the position resulting from TIE-GCM density with < 5 km bias. Simultaneously, linear approaches provide point estimates that can result in biases of 7 - 18 km.

Federated learning (FL) is a promising way to allow multiple data owners (clients) to collaboratively train machine learning models without compromising data privacy. Yet, existing FL solutions usually rely on a centralized aggregator for model weight aggregation, while assuming clients are honest. Even if data privacy can still be preserved, the problem of single-point failure and data poisoning attack from malicious clients remains unresolved. To tackle this challenge, we propose to use distributed ledger technology (DLT) to achieve FLock, a secure and reliable decentralized Federated Learning system built on blockchain. To guarantee model quality, we design a novel peer-to-peer (P2P) review and reward/slash mechanism to detect and deter malicious clients, powered by on-chain smart contracts. The reward/slash mechanism, in addition, serves as incentives for participants to honestly upload and review model parameters in the FLock system. FLock thus improves the performance and the robustness of FL systems in a fully P2P manner.

Causal structure learning from observational data remains a non-trivial task due to various factors such as finite sampling, unobserved confounding factors, and measurement errors. Constraint-based and score-based methods tend to suffer from high computational complexity due to the combinatorial nature of estimating the directed acyclic graph (DAG). Motivated by the `Cause-Effect Pair' NIPS 2013 Workshop on Causality Challenge, in this paper, we take a different approach and generate a probability distribution over all possible graphs informed by the cause-effect pair features proposed in response to the workshop challenge. The goal of the paper is to propose new methods based on this probabilistic information and compare their performance with traditional and state-of-the-art approaches. Our experiments, on both synthetic and real datasets, show that our proposed methods not only have statistically similar or better performances than some traditional approaches but also are computationally faster.

Persistent homology, a powerful mathematical tool for data analysis, summarizes the shape of data through tracking topological features across changes in different scales. Classical algorithms for persistent homology are often constrained by running times and memory requirements that grow exponentially on the number of data points. To surpass this problem, two quantum algorithms of persistent homology have been developed based on two different approaches. However, both of these quantum algorithms consider a data set in the form of a point cloud, which can be restrictive considering that many data sets come in the form of time series. In this paper, we alleviate this issue by establishing a quantum Takens's delay embedding algorithm, which turns a time series into a point cloud by considering a pertinent embedding into a higher dimensional space. Having this quantum transformation of time series to point clouds, then one may use a quantum persistent homology algorithm to extract the topological features from the point cloud associated with the original times series.

The ongoing amalgamation of UAV and ML techniques is creating a significant synergy and empowering UAVs with unprecedented intelligence and autonomy. This survey aims to provide a timely and comprehensive overview of ML techniques used in UAV operations and communications and identify the potential growth areas and research gaps. We emphasise the four key components of UAV operations and communications to which ML can significantly contribute, namely, perception and feature extraction, feature interpretation and regeneration, trajectory and mission planning, and aerodynamic control and operation. We classify the latest popular ML tools based on their applications to the four components and conduct gap analyses. This survey also takes a step forward by pointing out significant challenges in the upcoming realm of ML-aided automated UAV operations and communications. It is revealed that different ML techniques dominate the applications to the four key modules of UAV operations and communications. While there is an increasing trend of cross-module designs, little effort has been devoted to an end-to-end ML framework, from perception and feature extraction to aerodynamic control and operation. It is also unveiled that the reliability and trust of ML in UAV operations and applications require significant attention before full automation of UAVs and potential cooperation between UAVs and humans come to fruition.

Robust forecasting of the future anatomical changes inflicted by an ongoing disease is an extremely challenging task that is out of grasp even for experienced healthcare professionals. Such a capability, however, is of great importance since it can improve patient management by providing information on the speed of disease progression already at the admission stage, or it can enrich the clinical trials with fast progressors and avoid the need for control arms by the means of digital twins. In this work, we develop a deep learning method that models the evolution of age-related disease by processing a single medical scan and providing a segmentation of the target anatomy at a requested future point in time. Our method represents a time-invariant physical process and solves a large-scale problem of modeling temporal pixel-level changes utilizing NeuralODEs. In addition, we demonstrate the approaches to incorporate the prior domain-specific constraints into our method and define temporal Dice loss for learning temporal objectives. To evaluate the applicability of our approach across different age-related diseases and imaging modalities, we developed and tested the proposed method on the datasets with 967 retinal OCT volumes of 100 patients with Geographic Atrophy, and 2823 brain MRI volumes of 633 patients with Alzheimer's Disease. For Geographic Atrophy, the proposed method outperformed the related baseline models in the atrophy growth prediction. For Alzheimer's Disease, the proposed method demonstrated remarkable performance in predicting the brain ventricle changes induced by the disease, achieving the state-of-the-art result on TADPOLE challenge.

Most existing deep learning models are trained based on the closed-world assumption, where the test data is assumed to be drawn i.i.d. from the same distribution as the training data, known as in-distribution (ID). However, when models are deployed in an open-world scenario, test samples can be out-of-distribution (OOD) and therefore should be handled with caution. To detect such OOD samples drawn from unknown distribution, OOD detection has received increasing attention lately. However, current endeavors mostly focus on grid-structured data and its application for graph-structured data remains under-explored. Considering the fact that data labeling on graphs is commonly time-expensive and labor-intensive, in this work we study the problem of unsupervised graph OOD detection, aiming at detecting OOD graphs solely based on unlabeled ID data. To achieve this goal, we develop a new graph contrastive learning framework GOOD-D for detecting OOD graphs without using any ground-truth labels. By performing hierarchical contrastive learning on the augmented graphs generated by our perturbation-free graph data augmentation method, GOOD-D is able to capture the latent ID patterns and accurately detect OOD graphs based on the semantic inconsistency in different granularities (i.e., node-level, graph-level, and group-level). As a pioneering work in unsupervised graph-level OOD detection, we build a comprehensive benchmark to compare our proposed approach with different state-of-the-art methods. The experiment results demonstrate the superiority of our approach over different methods on various datasets.

Federated Learning is a machine learning paradigm where we aim to train machine learning models in a distributed fashion. Many clients/edge devices collaborate with each other to train a single model on the central. Clients do not share their own datasets with each other, decoupling computation and data on the same device. In this paper, we propose yet another adaptive federated optimization method and some other ideas in the field of federated learning. We also perform experiments using these methods and showcase the improvement in the overall performance of federated learning.

Federated learning (FL) has emerged as an instance of distributed machine learning paradigm that avoids the transmission of data generated on the users' side. Although data are not transmitted, edge devices have to deal with limited communication bandwidths, data heterogeneity, and straggler effects due to the limited computational resources of users' devices. A prominent approach to overcome such difficulties is FedADMM, which is based on the classical two-operator consensus alternating direction method of multipliers (ADMM). The common assumption of FL algorithms, including FedADMM, is that they learn a global model using data only on the users' side and not on the edge server. However, in edge learning, the server is expected to be near the base station and have direct access to rich datasets. In this paper, we argue that leveraging the rich data on the edge server is much more beneficial than utilizing only user datasets. Specifically, we show that the mere application of FL with an additional virtual user node representing the data on the edge server is inefficient. We propose FedTOP-ADMM, which generalizes FedADMM and is based on a three-operator ADMM-type technique that exploits a smooth cost function on the edge server to learn a global model parallel to the edge devices. Our numerical experiments indicate that FedTOP-ADMM has substantial gain up to 33\% in communication efficiency to reach a desired test accuracy with respect to FedADMM, including a virtual user on the edge server.

The clinical interest is often to measure the volume of a structure, which is typically derived from a segmentation. In order to evaluate and compare segmentation methods, the similarity between a segmentation and a predefined ground truth is measured using popular discrete metrics, such as the Dice score. Recent segmentation methods use a differentiable surrogate metric, such as soft Dice, as part of the loss function during the learning phase. In this work, we first briefly describe how to derive volume estimates from a segmentation that is, potentially, inherently uncertain or ambiguous. This is followed by a theoretical analysis and an experimental validation linking the inherent uncertainty to common loss functions for training CNNs, namely cross-entropy and soft Dice. We find that, even though soft Dice optimization leads to an improved performance with respect to the Dice score and other measures, it may introduce a volume bias for tasks with high inherent uncertainty. These findings indicate some of the method's clinical limitations and suggest doing a closer ad-hoc volume analysis with an optional re-calibration step.

In this paper, we introduced the novel concept of advisor network to address the problem of noisy labels in image classification. Deep neural networks (DNN) are prone to performance reduction and overfitting problems on training data with noisy annotations. Weighting loss methods aim to mitigate the influence of noisy labels during the training, completely removing their contribution. This discarding process prevents DNNs from learning wrong associations between images and their correct labels but reduces the amount of data used, especially when most of the samples have noisy labels. Differently, our method weighs the feature extracted directly from the classifier without altering the loss value of each data. The advisor helps to focus only on some part of the information present in mislabeled examples, allowing the classifier to leverage that data as well. We trained it with a meta-learning strategy so that it can adapt throughout the training of the main model. We tested our method on CIFAR10 and CIFAR100 with synthetic noise, and on Clothing1M which contains real-world noise, reporting state-of-the-art results.

In this work, we investigate the problem of an online trajectory design for an Unmanned Aerial Vehicle (UAV) in a Federated Learning (FL) setting where several different communities exist, each defined by a unique task to be learned. In this setting, spatially distributed devices belonging to each community collaboratively contribute towards training their community model via wireless links provided by the UAV. Accordingly, the UAV acts as a mobile orchestrator coordinating the transmissions and the learning schedule among the devices in each community, intending to accelerate the learning process of all tasks. We propose a heuristic metric as a proxy for the training performance of the different tasks. Capitalizing on this metric, a surrogate objective is defined which enables us to jointly optimize the UAV trajectory and the scheduling of the devices by employing convex optimization techniques and graph theory. The simulations illustrate the out-performance of our solution when compared to other handpicked static and mobile UAV deployment baselines.  ( 2 min )

Change point detection (CPD) methods aim to detect abrupt changes in time-series data. Recent CPD methods have demonstrated their potential in identifying changes in underlying statistical distributions but often fail to capture complex changes in the correlation structure in time-series data. These methods also fail to generalize effectively, as even within the same time-series, different kinds of change points (CPs) may arise that are best characterized by different types of time-series perturbations. To address this issue, we propose TiVaCPD, a CPD methodology that uses a time-varying graphical lasso based method to identify changes in correlation patterns between features over time, and combines that with an aggregate Kernel Maximum Mean Discrepancy (MMD) test to identify subtle changes in the underlying statistical distributions of dynamically established time windows. We evaluate the performance of TiVaCPD in identifying and characterizing various types of CPs in time-series and show that our method outperforms current state-of-the-art CPD methods for all categories of CPs.

In this paper, we propose an advanced approach in targeting the problem of monocular 3D lane detection by leveraging geometry structure underneath the process of 2D to 3D lane reconstruction. Inspired by previous methods, we first analyze the geometry heuristic between the 3D lane and its 2D representation on the ground and propose to impose explicit supervision based on the structure prior, which makes it achievable to build inter-lane and intra-lane relationships to facilitate the reconstruction of 3D lanes from local to global. Second, to reduce the structure loss in 2D lane representation, we directly extract BEV lane information from front view images, which tremendously eases the confusion of distant lane features in previous methods. Furthermore, we propose a novel task-specific data augmentation method by synthesizing new training data for both segmentation and reconstruction tasks in our pipeline, to counter the imbalanced data distribution of camera pose and ground slope to improve generalization on unseen data. Our work marks the first attempt to employ the geometry prior information into DNN-based 3D lane detection and makes it achievable for detecting lanes in an extra-long distance, doubling the original detection range. The proposed method can be smoothly adopted by other frameworks without extra costs. Experimental results show that our work outperforms state-of-the-art approaches by 3.8% F-Score on Apollo 3D synthetic dataset at real-time speed of 82 FPS without introducing extra parameters.

Transfer Learning is an area of statistics and machine learning research that seeks answers to the following question: how do we build successful learning algorithms when the data available for training our model is qualitatively different from the data we hope the model will perform well on? In this thesis, we focus on a specific area of Transfer Learning called label shift, also known as quantification. In quantification, the aforementioned discrepancy is isolated to a shift in the distribution of the response variable. In such a setting, accurately inferring the response variable's new distribution is both an important estimation task in its own right and a crucial step for ensuring that the learning algorithm can adapt to the new data. We make two contributions to this field. First, we present a new procedure called SELSE which estimates the shift in the response variable's distribution. Second, we prove that SELSE is semiparametric efficient among a large family of quantification algorithms, i.e., SELSE's normalized error has the smallest possible asymptotic variance matrix compared to any other algorithm in that family. This family includes nearly all existing algorithms, including ACC/PACC quantifiers and maximum likelihood based quantifiers such as EMQ and MLLS. Empirical experiments reveal that SELSE is competitive with, and in many cases outperforms, existing state-of-the-art quantification methods, and that this improvement is especially large when the number of test samples is far greater than the number of train samples.

There is an increasing need in our society to achieve faster advances in Science to tackle urgent problems, such as climate changes, environmental hazards, sustainable energy systems, pandemics, among others. In certain domains like chemistry, scientific discovery carries the extra burden of assessing risks of the proposed novel solutions before moving to the experimental stage. Despite several recent advances in Machine Learning and AI to address some of these challenges, there is still a gap in technologies to support end-to-end discovery applications, integrating the myriad of available technologies into a coherent, orchestrated, yet flexible discovery process. Such applications need to handle complex knowledge management at scale, enabling knowledge consumption and production in a timely and efficient way for subject matter experts (SMEs). Furthermore, the discovery of novel functional materials strongly relies on the development of exploration strategies in the chemical space. For instance, generative models have gained attention within the scientific community due to their ability to generate enormous volumes of novel molecules across material domains. These models exhibit extreme creativity that often translates in low viability of the generated candidates. In this work, we propose a workbench framework that aims at enabling the human-AI co-creation to reduce the time until the first discovery and the opportunity costs involved. This framework relies on a knowledge base with domain and process knowledge, and user-interaction components to acquire knowledge and advise the SMEs. Currently,the framework supports four main activities: generative modeling, dataset triage, molecule adjudication, and risk assessment.

Recommender systems are a long-standing research problem in data mining and machine learning. They are incremental in nature, as new user-item interaction logs arrive. In real-world applications, we need to periodically train a collaborative filtering algorithm to extract user/item embedding vectors and therefore, a time-series of embedding vectors can be naturally defined. We present a time-series forecasting-based upgrade kit (TimeKit), which works in the following way: it i) first decides a base collaborative filtering algorithm, ii) extracts user/item embedding vectors with the base algorithm from user-item interaction logs incrementally, e.g., every month, iii) trains our time-series forecasting model with the extracted time-series of embedding vectors, and then iv) forecasts the future embedding vectors and recommend with their dot-product scores owing to a recent breakthrough in processing complicated time-series data, i.e., neural controlled differential equations (NCDEs). Our experiments with four real-world benchmark datasets show that the proposed time-series forecasting-based upgrade kit can significantly enhance existing popular collaborative filtering algorithms.

Numerical simulations are ubiquitous in science and engineering. Machine learning for science investigates how artificial neural architectures can learn from these simulations to speed up scientific discovery and engineering processes. Most of these architectures are trained in a supervised manner. They require tremendous amounts of data from simulations that are slow to generate and memory greedy. In this article, we present our ongoing work to design a training framework that alleviates those bottlenecks. It generates data in parallel with the training process. Such simultaneity induces a bias in the data available during the training. We present a strategy to mitigate this bias with a memory buffer. We test our framework on the multi-parametric Lorenz's attractor. We show the benefit of our framework compared to offline training and the success of our data bias mitigation strategy to capture the complex chaotic dynamics of the system.

Graph summarization via node grouping is a popular method to build concise graph representations by grouping nodes from the original graph into supernodes and encoding edges into superedges such that the loss of adjacency information is minimized. Such summaries have immense applications in large-scale graph analytics due to their small size and high query processing efficiency. In this paper, we reformulate the loss minimization problem for summarization into an equivalent integer maximization problem. By initially allowing relaxed (fractional) solutions for integer maximization, we analytically expose the underlying connections to the spectral properties of the adjacency matrix. Consequently, we design an algorithm called SpecSumm that consists of two phases. In the first phase, motivated by spectral graph theory, we apply k-means clustering on the k largest (in magnitude) eigenvectors of the adjacency matrix to assign nodes to supernodes. In the second phase, we propose a greedy heuristic that updates the initial assignment to further improve summary quality. Finally, via extensive experiments on 11 datasets, we show that SpecSumm efficiently produces high-quality summaries compared to state-of-the-art summarization algorithms and scales to graphs with millions of nodes.

With most technical fields, there exists a delay between fundamental academic research and practical industrial uptake. Whilst some sciences have robust and well-established processes for commercialisation, such as the pharmaceutical practice of regimented drug trials, other fields face transitory periods in which fundamental academic advancements diffuse gradually into the space of commerce and industry. For the still relatively young field of Automated/Autonomous Machine Learning (AutoML/AutonoML), that transitory period is under way, spurred on by a burgeoning interest from broader society. Yet, to date, little research has been undertaken to assess the current state of this dissemination and its uptake. Thus, this review makes two primary contributions to knowledge around this topic. Firstly, it provides the most up-to-date and comprehensive survey of existing AutoML tools, both open-source and commercial. Secondly, it motivates and outlines a framework for assessing whether an AutoML solution designed for real-world application is 'performant'; this framework extends beyond the limitations of typical academic criteria, considering a variety of stakeholder needs and the human-computer interactions required to service them. Thus, additionally supported by an extensive assessment and comparison of academic and commercial case-studies, this review evaluates mainstream engagement with AutoML in the early 2020s, identifying obstacles and opportunities for accelerating future uptake.

Graph-structured data are widespread in real-world applications, such as social networks, recommender systems, knowledge graphs, chemical molecules etc. Despite the success of Euclidean space for graph-related learning tasks, its ability to model complex patterns is essentially constrained by its polynomially growing capacity. Recently, hyperbolic spaces have emerged as a promising alternative for processing graph data with tree-like structure or power-law distribution, owing to the exponential growth property. Different from Euclidean space, which expands polynomially, the hyperbolic space grows exponentially which makes it gains natural advantages in abstracting tree-like or scale-free graphs with hierarchical organizations. In this tutorial, we aim to give an introduction to this emerging field of graph representation learning with the express purpose of being accessible to all audiences. We first give a brief introduction to graph representation learning as well as some preliminary Riemannian and hyperbolic geometry. We then comprehensively revisit the hyperbolic embedding techniques, including hyperbolic shallow models and hyperbolic neural networks. In addition, we introduce the technical details of the current hyperbolic graph neural networks by unifying them into a general framework and summarizing the variants of each component. Moreover, we further introduce a series of related applications in a variety of fields. In the last part, we discuss several advanced topics about hyperbolic geometry for graph representation learning, which potentially serve as guidelines for further flourishing the non-Euclidean graph learning community.

As a result of the ever increasing complexity of configuring and fine-tuning machine learning models, the field of automated machine learning (AutoML) has emerged over the past decade. However, software implementations like Auto-WEKA and Auto-sklearn typically focus on classical machine learning (ML) tasks such as classification and regression. Our work can be seen as the first attempt at offering a single AutoML framework for most problem settings that fall under the umbrella of multi-target prediction, which includes popular ML settings such as multi-label classification, multivariate regression, multi-task learning, dyadic prediction, matrix completion, and zero-shot learning. Automated problem selection and model configuration are achieved by extending DeepMTP, a general deep learning framework for MTP problem settings, with popular hyperparameter optimization (HPO) methods. Our extensive benchmarking across different datasets and MTP problem settings identifies cases where specific HPO methods outperform others.

We analyze the growth of dataset sizes used in machine learning for natural language processing and computer vision, and extrapolate these using two methods; using the historical growth rate and estimating the compute-optimal dataset size for future predicted compute budgets. We investigate the growth in data usage by estimating the total stock of unlabeled data available on the internet over the coming decades. Our analysis indicates that the stock of high-quality language data will be exhausted soon; likely before 2026. By contrast, the stock of low-quality language data and image data will be exhausted only much later; between 2030 and 2050 (for low-quality language) and between 2030 and 2060 (for images). Our work suggests that the current trend of ever-growing ML models that rely on enormous datasets might slow down if data efficiency is not drastically improved or new sources of data become available.

Fine-grained population maps are needed in several domains, like urban planning, environmental monitoring, public health, and humanitarian operations. Unfortunately, in many countries only aggregate census counts over large spatial units are collected, moreover, these are not always up-to-date. We present POMELO, a deep learning model that employs coarse census counts and open geodata to estimate fine-grained population maps with 100m ground sampling distance. Moreover, the model can also estimate population numbers when no census counts at all are available, by generalizing across countries. In a series of experiments for several countries in sub-Saharan Africa, the maps produced with POMELOare in good agreement with the most detailed available reference counts: disaggregation of coarse census counts reaches R2 values of 85-89%; unconstrained prediction in the absence of any counts reaches 48-69%.

Machine learning and deep learning-based decision making has become part of today's software. The goal of this work is to ensure that machine learning and deep learning-based systems are as trusted as traditional software. Traditional software is made dependable by following rigorous practice like static analysis, testing, debugging, verifying, and repairing throughout the development and maintenance life-cycle. Similarly for machine learning systems, we need to keep these models up to date so that their performance is not compromised. For this, current systems rely on scheduled re-training of these models as new data kicks in. In this work, we propose to measure the data drift that takes place when new data kicks in so that one can adaptively re-train the models whenever re-training is actually required irrespective of schedules. In addition to that, we generate various explanations at sentence level and dataset level to capture why a given payload text has drifted.

In this current technological world, the application of machine learning is becoming ubiquitous. Incorporating machine learning algorithms on extremely low-power and inexpensive embedded devices at the edge level is now possible due to the combination of the Internet of Things (IoT) and edge computing. To estimate an outcome, traditional machine learning demands vast amounts of resources. The TinyML concept for embedded machine learning attempts to push such diversity from usual high-end approaches to low-end applications. TinyML is a rapidly expanding interdisciplinary topic at the convergence of machine learning, software, and hardware centered on deploying deep neural network models on embedded (micro-controller-driven) systems. TinyML will pave the way for novel edge-level services and applications that survive on distributed edge inferring and independent decision-making rather than server computation. In this paper, we explore TinyML's methodology, how TinyML can benefit a few specific industrial fields, its obstacles, and its future scope.

Can continuous diffusion models bring the same performance breakthrough on natural language they did for image generation? To circumvent the discrete nature of text data, we can simply project tokens in a continuous space of embeddings, as is standard in language modeling. We propose Self-conditioned Embedding Diffusion, a continuous diffusion mechanism that operates on token embeddings and allows to learn flexible and scalable diffusion models for both conditional and unconditional text generation. Through qualitative and quantitative evaluation, we show that our text diffusion models generate samples comparable with those produced by standard autoregressive language models - while being in theory more efficient on accelerator hardware at inference time. Our work paves the way for scaling up diffusion models for text, similarly to autoregressive models, and for improving performance with recent refinements to continuous diffusion.

The use of multilingual language models for tasks in low and high-resource languages has been a success story in deep learning. In recent times, Arabic has been receiving widespread attention on account of its dialectal variance. While prior research studies have tried to adapt these multilingual models for dialectal variants of Arabic, it still remains a challenging problem owing to the lack of sufficient monolingual dialectal data and parallel translation data of such dialectal variants. It remains an open problem on whether the limited dialectical data can be used to improve the models trained in Arabic on its dialectal variants. First, we show that multilingual-BERT (mBERT) incrementally pretrained on Arabic monolingual data takes less training time and yields comparable accuracy when compared to our custom monolingual Arabic model and beat existing models (by an avg metric of +$6.41$). We then explore two continual pre-training methods -- (1) using small amounts of dialectical data for continual finetuning and (2) parallel Arabic to English data and a Translation Language Modeling loss function. We show that both approaches help improve performance on dialectal classification tasks ($+4.64$ avg. gain) when used on monolingual models.  ( 2 min )

Recently, many neural network-based image compression methods have shown promising results superior to the existing tool-based conventional codecs. However, most of them are often trained as separate models for different target bit rates, thus increasing the model complexity. Therefore, several studies have been conducted for learned compression that supports variable rates with single models, but they require additional network modules, layers, or inputs that often lead to complexity overhead, or do not provide sufficient coding efficiency. In this paper, we firstly propose a selective compression method that partially encodes the latent representations in a fully generalized manner for deep learning-based variable-rate image compression. The proposed method adaptively determines essential representation elements for compression of different target quality levels. For this, we first generate a 3D importance map as the nature of input content to represent the underlying importance of the representation elements. The 3D importance map is then adjusted for different target quality levels using importance adjustment curves. The adjusted 3D importance map is finally converted into a 3D binary mask to determine the essential representation elements for compression. The proposed method can be easily integrated with the existing compression models with a negligible amount of overhead increase. Our method can also enable continuously variable-rate compression via simple interpolation of the importance adjustment curves among different quality levels. The extensive experimental results show that the proposed method can achieve comparable compression efficiency as those of the separately trained reference compression models and can reduce decoding time owing to the selective compression. The sample codes are publicly available at https://github.com/JooyoungLeeETRI/SCR.

In computer-aided drug discovery (CADD), virtual screening (VS) is used for identifying the drug candidates that are most likely to bind to a molecular target in a large library of compounds. Most VS methods to date have focused on using canonical compound representations (e.g., SMILES strings, Morgan fingerprints) or generating alternative fingerprints of the compounds by training progressively more complex variational autoencoders (VAEs) and graph neural networks (GNNs). Although VAEs and GNNs led to significant improvements in VS performance, these methods suffer from reduced performance when scaling to large virtual compound datasets. The performance of these methods has shown only incremental improvements in the past few years. To address this problem, we developed a novel method using multiparameter persistence (MP) homology that produces topological fingerprints of the compounds as multidimensional vectors. Our primary contribution is framing the VS process as a new topology-based graph ranking problem by partitioning a compound into chemical substructures informed by the periodic properties of its atoms and extracting their persistent homology features at multiple resolution levels. We show that the margin loss fine-tuning of pretrained Triplet networks attains highly competitive results in differentiating between compounds in the embedding space and ranking their likelihood of becoming effective drug candidates. We further establish theoretical guarantees for the stability properties of our proposed MP signatures, and demonstrate that our models, enhanced by the MP signatures, outperform state-of-the-art methods on benchmark datasets by a wide and highly statistically significant margin (e.g., 93% gain for Cleves-Jain and 54% gain for DUD-E Diverse dataset).

Since the mid-10s, the era of Deep Learning (DL) has continued to this day, bringing forth new superlatives and innovations each year. Nevertheless, the speed with which these innovations translate into real applications lags behind this fast pace. Safety-critical applications, in particular, underlie strict regulatory and ethical requirements which need to be taken care of and are still active areas of debate. eXplainable AI (XAI) and privacy-preserving machine learning (PPML) are both crucial research fields, aiming at mitigating some of the drawbacks of prevailing data-hungry black-box models in DL. Despite brisk research activity in the respective fields, no attention has yet been paid to their interaction. This work is the first to investigate the impact of private learning techniques on generated explanations for DL-based models. In an extensive experimental analysis covering various image and time series datasets from multiple domains, as well as varying privacy techniques, XAI methods, and model architectures, the effects of private training on generated explanations are studied. The findings suggest non-negligible changes in explanations through the introduction of privacy. Apart from reporting individual effects of PPML on XAI, the paper gives clear recommendations for the choice of techniques in real applications. By unveiling the interdependencies of these pivotal technologies, this work is a first step towards overcoming the remaining hurdles for practically applicable AI in safety-critical domains.

The high emission and low energy efficiency caused by internal combustion engines (ICE) have become unacceptable under environmental regulations and the energy crisis. As a promising alternative solution, multi-power source electric vehicles (MPS-EVs) introduce different clean energy systems to improve powertrain efficiency. The energy management strategy (EMS) is a critical technology for MPS-EVs to maximize efficiency, fuel economy, and range. Reinforcement learning (RL) has become an effective methodology for the development of EMS. RL has received continuous attention and research, but there is still a lack of systematic analysis of the design elements of RL-based EMS. To this end, this paper presents an in-depth analysis of the current research on RL-based EMS (RL-EMS) and summarizes the design elements of RL-based EMS. This paper first summarizes the previous applications of RL in EMS from five aspects: algorithm, perception scheme, decision scheme, reward function, and innovative training method. The contribution of advanced algorithms to the training effect is shown, the perception and control schemes in the literature are analyzed in detail, different reward function settings are classified, and innovative training methods with their roles are elaborated. Finally, by comparing the development routes of RL and RL-EMS, this paper identifies the gap between advanced RL solutions and existing RL-EMS. Finally, this paper suggests potential development directions for implementing advanced artificial intelligence (AI) solutions in EMS.  ( 2 min )

In this work, we propose a framework relying solely on chat-based customer support (CS) interactions for predicting the recommendation decision of individual users. For our case study, we analyzed a total number of 16.4k users and 48.7k customer support conversations within the financial vertical of a large e-commerce company in Latin America. Consequently, our main contributions and objectives are to use Natural Language Processing (NLP) to assess and predict the recommendation behavior where, in addition to using static sentiment analysis, we exploit the predictive power of each user's sentiment dynamics. Our results show that, with respective feature interpretability, it is possible to predict the likelihood of a user to recommend a product or service, based solely on the message-wise sentiment evolution of their CS conversations in a fully automated way.  ( 2 min )

The Hamiltonian of an isolated quantum mechanical system determines its dynamics and physical behaviour. This study investigates the possibility of learning and utilising a system's Hamiltonian and its variational thermal state estimation for data analysis techniques. For this purpose, we employ the method of Quantum Hamiltonian-Based Models for the generative modelling of simulated Large Hadron Collider data and demonstrate the representability of such data as a mixed state. In a further step, we use the learned Hamiltonian for anomaly detection, showing that different sample types can form distinct dynamical behaviours once treated as a quantum many-body system. We exploit these characteristics to quantify the difference between sample types. Our findings show that the methodologies designed for field theory computations can be utilised in machine learning applications to employ theoretical approaches in data analysis techniques.  ( 2 min )

Inferring accurate posteriors for high-dimensional representations of the brightness of gravitationally-lensed sources is a major challenge, in part due to the difficulties of accurately quantifying the priors. Here, we report the use of a score-based model to encode the prior for the inference of undistorted images of background galaxies. This model is trained on a set of high-resolution images of undistorted galaxies. By adding the likelihood score to the prior score and using a reverse-time stochastic differential equation solver, we obtain samples from the posterior. Our method produces independent posterior samples and models the data almost down to the noise level. We show how the balance between the likelihood and the prior meet our expectations in an experiment with out-of-distribution data.  ( 2 min )

Deep learning semantic segmentation algorithms have provided improved frameworks for the automated production of Land-Use and Land-Cover (LULC) maps, which significantly increases the frequency of map generation as well as consistency of production quality. In this research, a total of 28 different model variations were examined to improve the accuracy of LULC maps. The experiments were carried out using Landsat 5/7 or Landsat 8 satellite images with the North American Land Change Monitoring System labels. The performance of various CNNs and extension combinations were assessed, where VGGNet with an output stride of 4, and modified U-Net architecture provided the best results. Additional expanded analysis of the generated LULC maps was also provided. Using a deep neural network, this work achieved 92.4% accuracy for 13 LULC classes within southern Manitoba representing a 15.8% improvement over published results for the NALCMS. Based on the large regions of interest, higher radiometric resolution of Landsat 8 data resulted in better overall accuracies (88.04%) compare to Landsat 5/7 (80.66%) for 16 LULC classes. This represents an 11.44% and 4.06% increase in overall accuracy compared to previously published NALCMS results, including larger land area and higher number of LULC classes incorporated into the models compared to other published LULC map automation methods.  ( 2 min )

Current sheets are spatially localized almost-1D structures with intense plasma currents. They play a key role in storing the magnetic field energy and they separate different plasma populations in planetary magnetospheres, the solar wind, and the solar corona. Current sheets are primary regions for the magnetic field line reconnection responsible for plasma heating and charged particle acceleration. One of the most interesting and widely observed type of 1D current sheets is the rotational discontinuity, that can be force-free or include plasma compression. Theoretical models of such 1D current sheets are based on the assumption of adiabatic motion of ions, i.e. ion adiabatic invariants are conserved. We focus on three current sheet configurations, widely observed in the Earth magnetopause and magnetotail and in the near-Earth solar wind. Magnetic field in such current sheets is supported by currents carried by transient ions, which exist only when there is a sufficient number of invariants. In this paper, we apply a novel machine learning approach, AI Poincar'e, to determine parametrical domains where adiabatic invariants are conserved. For all three current sheet configurations, these domains are quite narrow and do not cover the entire parametrical range of observed current sheets. We discuss possible interpretation of obtained results indicating that 1D current sheets are dynamical rather than static plasma equilibria.  ( 2 min )

Detecting change-points in data is challenging because of the range of possible types of change and types of behaviour of data when there is no change. Statistically efficient methods for detecting a change will depend on both of these features, and it can be difficult for a practitioner to develop an appropriate detection method for their application of interest. We show how to automatically generate new detection methods based on training a neural network. Our approach is motivated by many existing tests for the presence of a change-point being able to be represented by a simple neural network, and thus a neural network trained with sufficient data should have performance at least as good as these methods. We present theory that quantifies the error rate for such an approach, and how it depends on the amount of training data. Empirical results show that, even with limited training data, its performance is competitive with the standard CUSUM test for detecting a change in mean when the noise is independent and Gaussian, and can substantially outperform it in the presence of auto-correlated or heavy-tailed noise. Our method also shows strong results in detecting and localising changes in activity based on accelerometer data.  ( 2 min )

A lack of driver's vigilance is the main cause of most vehicle crashes. Electroencephalography(EEG) has been reliable and efficient tool for drivers' drowsiness estimation. Even though previous studies have developed accurate and robust driver's vigilance detection algorithms, these methods are still facing challenges on following areas: (a) small sample size training, (b) anomaly signal detection, and (c) subject-independent classification. In this paper, we propose a generalized few-shot model, namely EEG-Fest, to improve aforementioned drawbacks. The EEG-Fest model can (a) classify the query sample's drowsiness with a few samples, (b) identify whether a query sample is anomaly signals or not, and (c) achieve subject independent classification. The proposed algorithm achieves state-of-the-art results on the SEED-VIG dataset and the SADT dataset. The accuracy of the drowsy class achieves 92% and 94% for 1-shot and 5-shot support samples in the SEED-VIG dataset, and 62% and 78% for 1-shot and 5-shot support samples in the SADT dataset.  ( 2 min )

Single-cell reference atlases are large-scale, cell-level maps that capture cellular heterogeneity within an organ using single cell genomics. Given their size and cellular diversity, these atlases serve as high-quality training data for the transfer of cell type labels to new datasets. Such label transfer, however, must be robust to domain shifts in gene expression due to measurement technique, lab specifics and more general batch effects. This requires methods that provide uncertainty estimates on the cell type predictions to ensure correct interpretation. Here, for the first time, we introduce uncertainty quantification methods for cell type classification on single-cell reference atlases. We benchmark four model classes and show that currently used models lack calibration, robustness, and actionable uncertainty scores. Furthermore, we demonstrate how models that quantify uncertainty are better suited to detect unseen cell types in the setting of atlas-level cell type transfer.  ( 2 min )

Many self-supervised speech models, varying in their pre-training objective, input modality, and pre-training data, have been proposed in the last few years. Despite impressive empirical successes on downstream tasks, we still have a limited understanding of the properties encoded by the models and the differences across models. In this work, we examine the intermediate representations for a variety of recent models. Specifically, we measure acoustic, phonetic, and word-level properties encoded in individual layers, using a lightweight analysis tool based on canonical correlation analysis (CCA). We find that these properties evolve across layers differently depending on the model, and the variations relate to the choice of pre-training objective. We further investigate the utility of our analyses for downstream tasks by comparing the property trends with performance on speech recognition and spoken language understanding tasks. We discover that CCA trends provide reliable guidance to choose layers of interest for downstream tasks and that single-layer performance often matches or improves upon using all layers, suggesting implications for more efficient use of pre-trained models.  ( 2 min )

Despite their popularity in deep learning and machine learning in general, the theoretical properties of adaptive optimizers such as Adagrad, RMSProp, Adam or AdamW are not yet fully understood. In this paper, we develop a novel framework to study the stability and generalization of these optimization methods. Based on this framework, we show provable guarantees about such properties that depend heavily on a single parameter $\beta_2$. Our empirical experiments support our claims and provide practical insights into the stability and generalization properties of adaptive optimization methods.  ( 2 min )

Causal discovery, the inference of causal relations from data, is a core task of fundamental importance in all scientific domains, and several new machine learning methods for addressing the causal discovery problem have been proposed recently. However, existing machine learning methods for causal discovery typically require that the data used for inference is pooled and available in a centralized location. In many domains of high practical importance, such as in healthcare, data is only available at local data-generating entities (e.g. hospitals in the healthcare context), and cannot be shared across entities due to, among others, privacy and regulatory reasons. In this work, we address the problem of inferring causal structure - in the form of a directed acyclic graph (DAG) - from a distributed data set that contains both observational and interventional data in a privacy-preserving manner by exchanging updates instead of samples. To this end, we introduce a new federated framework, FED-CD, that enables the discovery of global causal structures both when the set of intervened covariates is the same across decentralized entities, and when the set of intervened covariates are potentially disjoint. We perform a comprehensive experimental evaluation on synthetic data that demonstrates that FED-CD enables effective aggregation of decentralized data for causal discovery without direct sample sharing, even when the contributing distributed data sets cover disjoint sets of interventions. Effective methods for causal discovery in distributed data sets could significantly advance scientific discovery and knowledge sharing in important settings, for instance, healthcare, in which sharing of data across local sites is difficult or prohibited.  ( 3 min )

Property inference attacks against machine learning (ML) models aim to infer properties of the training data that are unrelated to the primary task of the model, and have so far been formulated as binary decision problems, i.e., whether or not the training data have a certain property. However, in industrial and healthcare applications, the proportion of labels in the training data is quite often also considered sensitive information. In this paper we introduce a new type of property inference attack that unlike binary decision problems in literature, aim at inferring the class label distribution of the training data from parameters of ML classifier models. We propose a method based on \emph{shadow training} and a \emph{meta-classifier} trained on the parameters of the shadow classifiers augmented with the accuracy of the classifiers on auxiliary data. We evaluate the proposed approach for ML classifiers with fully connected neural network architectures. We find that the proposed \emph{meta-classifier} attack provides a maximum relative improvement of $52\%$ over state of the art.

Although numerous algorithms have been proposed to solve the categorical data clustering problem, how to access the statistical significance of a set of categorical clusters remains unaddressed. To fulfill this void, we employ the likelihood ratio test to derive a test statistic that can serve as a significance-based objective function in categorical data clustering. Consequently, a new clustering algorithm is proposed in which the significance-based objective function is optimized via a Monte Carlo search procedure. As a by-product, we can further calculate an empirical $p$-value to assess the statistical significance of a set of clusters and develop an improved gap statistic for estimating the cluster number. Extensive experimental studies suggest that our method is able to achieve comparable performance to state-of-the-art categorical data clustering algorithms. Moreover, the effectiveness of such a significance-based formulation on statistical cluster validation and cluster number estimation is demonstrated through comprehensive empirical results.  ( 2 min )

Almonds are one of the most lucrative products of California, but are also among the most sensitive to climate change. In order to better understand the relationship between climatic factors and almond yield, an automated machine learning framework is used to build a collection of machine learning models. The prediction skill is assessed using historical records. Future projections are derived using 17 downscaled climate outputs. The ensemble mean projection displays almond yield changes under two different climate scenarios, along with two technology development scenarios, where the role of technology development is highlighted. The mean projections and distributions provide insightful results to stakeholders and can be utilized by policymakers for climate adaptation.  ( 2 min )

We present the Neural Satisfiability Network (NSNet), a general neural framework that models satisfiability problems as probabilistic inference and meanwhile exhibits proper explainability. Inspired by the Belief Propagation (BP), NSNet uses a novel graph neural network (GNN) to parameterize BP in the latent space, where its hidden representations maintain the same probabilistic interpretation as BP. NSNet can be flexibly configured to solve both SAT and #SAT problems by applying different learning objectives. For SAT, instead of directly predicting a satisfying assignment, NSNet performs marginal inference among all satisfying solutions, which we empirically find is more feasible for neural networks to learn. With the estimated marginals, a satisfying assignment can be efficiently generated by rounding and executing a stochastic local search. For #SAT, NSNet performs approximate model counting by learning the Bethe approximation of the partition function. Our evaluations show that NSNet achieves competitive results in terms of inference accuracy and time efficiency on multiple SAT and #SAT datasets.  ( 2 min )

Removing reverb from reverberant music is a necessary technique to clean up audio for downstream music manipulations. Reverberation of music contains two categories, natural reverb, and artificial reverb. Artificial reverb has a wider diversity than natural reverb due to its various parameter setups and reverberation types. However, recent supervised dereverberation methods may fail because they rely on sufficiently diverse and numerous pairs of reverberant observations and retrieved data for training in order to be generalizable to unseen observations during inference. To resolve these problems, we propose an unsupervised method that can remove a general kind of artificial reverb for music without requiring pairs of data for training. The proposed method is based on diffusion models, where it initializes the unknown reverberation operator with a conventional signal processing technique and simultaneously refines the estimate with the help of diffusion models. We show through objective and perceptual evaluations that our method outperforms the current leading vocal dereverberation benchmarks.

In recent years, deep learning has infiltrated every field it has touched, reducing the need for specialist knowledge and automating the process of knowledge discovery from data. This review argues that astronomy is no different, and that we are currently in the midst of a deep learning revolution that is transforming the way we do astronomy. We trace the history of astronomical connectionism from the early days of multilayer perceptrons, through the second wave of convolutional and recurrent neural networks, to the current third wave of self-supervised and unsupervised deep learning. We then predict that we will soon enter a fourth wave of astronomical connectionism, in which finetuned versions of an all-encompassing 'foundation' model will replace expertly crafted deep learning models. We argue that such a model can only be brought about through a symbiotic relationship between astronomy and connectionism, whereby astronomy provides high quality multimodal data to train the foundation model, and in turn the foundation model is used to advance astronomical research.  ( 2 min )

Tensor decomposition serves as a powerful primitive in statistics and machine learning. In this paper, we focus on using power iteration to decompose an overcomplete random tensor. Past work studying the properties of tensor power iteration either requires a non-trivial data-independent initialization, or is restricted to the undercomplete regime. Moreover, several papers implicitly suggest that logarithmically many iterations (in terms of the input dimension) are sufficient for the power method to recover one of the tensor components. In this paper, we analyze the dynamics of tensor power iteration from random initialization in the overcomplete regime. Surprisingly, we show that polynomially many steps are necessary for convergence of tensor power iteration to any of the true component, which refutes the previous conjecture. On the other hand, our numerical experiments suggest that tensor power iteration successfully recovers tensor components for a broad range of parameters, despite that it takes at least polynomially many steps to converge. To further complement our empirical evidence, we prove that a popular objective function for tensor decomposition is strictly increasing along the power iteration path. Our proof is based on the Gaussian conditioning technique, which has been applied to analyze the approximate message passing (AMP) algorithm. The major ingredient of our argument is a conditioning lemma that allows us to generalize AMP-type analysis to non-proportional limit and polynomially many iterations of the power method.  ( 3 min )

We present Polite Teacher, a simple yet effective method for the task of semi-supervised instance segmentation. The proposed architecture relies on the Teacher-Student mutual learning framework. To filter out noisy pseudo-labels, we use confidence thresholding for bounding boxes and mask scoring for masks. The approach has been tested with CenterMask, a single-stage anchor-free detector. Tested on the COCO 2017 val dataset, our architecture significantly (approx. +8 pp. in mask AP) outperforms the baseline at different supervision regimes. To the best of our knowledge, this is one of the first works tackling the problem of semi-supervised instance segmentation and the first one devoted to an anchor-free detector.  ( 2 min )

This work introduces the novel task of Source-free Multi-target Domain Adaptation and proposes adaptation framework comprising of \textbf{Co}nsistency with \textbf{N}uclear-Norm Maximization and \textbf{Mix}Up knowledge distillation (\textit{CoNMix}) as a solution to this problem. The main motive of this work is to solve for Single and Multi target Domain Adaptation (SMTDA) for the source-free paradigm, which enforces a constraint where the labeled source data is not available during target adaptation due to various privacy-related restrictions on data sharing. The source-free approach leverages target pseudo labels, which can be noisy, to improve the target adaptation. We introduce consistency between label preserving augmentations and utilize pseudo label refinement methods to reduce noisy pseudo labels. Further, we propose novel MixUp Knowledge Distillation (MKD) for better generalization on multiple target domains using various source-free STDA models. We also show that the Vision Transformer (VT) backbone gives better feature representation with improved domain transferability and class discriminability. Our proposed framework achieves the state-of-the-art (SOTA) results in various paradigms of source-free STDA and MTDA settings on popular domain adaptation datasets like Office-Home, Office-Caltech, and DomainNet. Project Page: https://sites.google.com/view/conmix-vcl  ( 2 min )

Deep reinforcement learning (DRL) has empowered a variety of artificial intelligence fields, including pattern recognition, robotics, recommendation-systems, and gaming. Similarly, graph neural networks (GNN) have also demonstrated their superior performance in supervised learning for graph-structured data. In recent times, the fusion of GNN with DRL for graph-structured environments has attracted a lot of attention. This paper provides a comprehensive review of these hybrid works. These works can be classified into two categories: (1) algorithmic enhancement, where DRL and GNN complement each other for better utility; (2) application-specific enhancement, where DRL and GNN support each other. This fusion effectively addresses various complex problems in engineering and life sciences. Based on the review, we further analyze the applicability and benefits of fusing these two domains, especially in terms of increasing generalizability and reducing computational complexity. Finally, the key challenges in integrating DRL and GNN, and potential future research directions are highlighted, which will be of interest to the broader machine learning community.  ( 2 min )

We study the identity testing problem for high-dimensional distributions. Given as input an explicit distribution $\mu$, an $\varepsilon>0$, and access to sampling oracle(s) for a hidden distribution $\pi$, the goal in identity testing is to distinguish whether the two distributions $\mu$ and $\pi$ are identical or are at least $\varepsilon$-far apart. When there is only access to full samples from the hidden distribution $\pi$, it is known that exponentially many samples (in the dimension) may be needed for identity testing, and hence previous works have studied identity testing with additional access to various "conditional" sampling oracles. We consider a significantly weaker conditional sampling oracle, which we call the $\mathsf{Coordinate\ Oracle}$, and provide a computational and statistical characterization of the identity testing problem in this new model. We prove that if an analytic property known as approximate tensorization of entropy holds for an $n$-dimensional visible distribution $\mu$, then there is an efficient identity testing algorithm for any hidden distribution $\pi$ using $\tilde{O}(n/\varepsilon)$ queries to the $\mathsf{Coordinate\ Oracle}$. Approximate tensorization of entropy is a pertinent condition as recent works have established it for a large class of high-dimensional distributions. We also prove a computational phase transition: for a well-studied class of $n$-dimensional distributions, specifically sparse antiferromagnetic Ising models over $\{+1,-1\}^n$, we show that in the regime where approximate tensorization of entropy fails, there is no efficient identity testing algorithm unless $\mathsf{RP}=\mathsf{NP}$. We complement our results with a matching $\Omega(n/\varepsilon)$ statistical lower bound for the sample complexity of identity testing in the $\mathsf{Coordinate\ Oracle}$ model.  ( 3 min )

We present a systematic study of domain generalization (DG) for tiny neural networks. This problem is critical to on-device machine learning applications but has been overlooked in the literature where research has been merely focused on large models. Tiny neural networks have much fewer parameters and lower complexity and therefore should not be trained the same way as their large counterparts for DG applications. By conducting extensive experiments, we find that knowledge distillation (KD), a well-known technique for model compression, is much better for tackling the on-device DG problem than conventional DG methods. Another interesting observation is that the teacher-student gap on out-of-distribution data is bigger than that on in-distribution data, which highlights the capacity mismatch issue as well as the shortcoming of KD. We further propose a method called out-of-distribution knowledge distillation (OKD) where the idea is to teach the student how the teacher handles out-of-distribution data synthesized via disruptive data augmentation. Without adding any extra parameter to the model -- hence keeping the deployment cost unchanged -- OKD significantly improves DG performance for tiny neural networks in a variety of on-device DG scenarios for image and speech applications. We also contribute a scalable approach for synthesizing visual domain shifts, along with a new suite of DG datasets to complement existing testbeds.  ( 2 min )

Causal representation learning has been proposed to encode relationships between factors presented in the high dimensional data. However, existing methods suffer from merely using a large amount of labeled data and ignore the fact that samples generated by the same causal mechanism follow the same causal relationships. In this paper, we seek to explore such information by leveraging do-operation to reduce supervision strength. We propose a framework that implements do-operation by swapping latent cause and effect factors encoded from a pair of inputs. Moreover, we also identify the inadequacy of existing causal representation metrics empirically and theoretically and introduce new metrics for better evaluation. Experiments conducted on both synthetic and real datasets demonstrate the superiorities of our method compared with state-of-the-art methods.  ( 2 min )

Model-based Reinforcement Learning and Control have demonstrated great potential in various sequential decision making problem domains, including in robotics settings. However, real-world robotics systems often present challenges that limit the applicability of those methods. In particular, we note two problems that jointly happen in many industrial systems: 1) Irregular/asynchronous observations and actions and 2) Dramatic changes in environment dynamics from an episode to another (e.g. varying payload inertial properties). We propose a general framework that overcomes those difficulties by meta-learning adaptive dynamics models for continuous-time prediction and control. We evaluate the proposed approach on two robotic simulations, the first of which is inspired by a real-world industrial robot.  ( 2 min )

One of the major difficulties in medical image segmentation is the high variability of these images, which is caused by their origin (multi-centre), the acquisition protocols (multi-parametric), as well as the variability of human anatomy, the severity of the illness, the effect of age and gender, among others. The problem addressed in this work is the automatic semantic segmentation of lumbar spine Magnetic Resonance images using convolutional neural networks. The purpose is to assign a class label to each pixel of an image. Classes were defined by radiologists and correspond to different structural elements like vertebrae, intervertebral discs, nerves, blood vessels, and other tissues. The proposed network topologies are variants of the U-Net architecture. Several complementary blocks were used to define the variants: Three types of convolutional blocks, spatial attention models, deep supervision and multilevel feature extractor. This document describes the topologies and analyses the results of the neural network designs that obtained the most accurate segmentations. Several of the proposed designs outperform the standard U-Net used as baseline, especially when used in ensembles where the output of multiple neural networks is combined according to different strategies.  ( 3 min )

Transformers have been shown to be able to perform deductive reasoning on a logical rulebase containing rules and statements written in English natural language. While the progress is promising, it is currently unclear if these models indeed perform logical reasoning by understanding the underlying logical semantics in the language. To this end, we propose RobustLR, a suite of evaluation datasets that evaluate the robustness of these models to minimal logical edits in rulebases and some standard logical equivalence conditions. In our experiments with RoBERTa and T5, we find that the models trained in prior works do not perform consistently on the different perturbations in RobustLR, thus showing that the models are not robust to the proposed logical perturbations. Further, we find that the models find it especially hard to learn logical negation and disjunction operators. Overall, using our evaluation sets, we demonstrate some shortcomings of the deductive reasoning-based language models, which can eventually help towards designing better models for logical reasoning over natural language. All the datasets and code base have been made publicly available.  ( 2 min )

Outstanding achievements of graph neural networks for spatiotemporal time series analysis show that relational constraints introduce an effective inductive bias into neural forecasting architectures. Often, however, the relational information characterizing the underlying data-generating process is unavailable and the practitioner is left with the problem of inferring from data which relational graph to use in the subsequent processing stages. We propose novel, principled - yet practical - probabilistic score-based methods that learn the relational dependencies as distributions over graphs while maximizing end-to-end the performance at task. The proposed graph learning framework is based on consolidated variance reduction techniques for Monte Carlo score-based gradient estimation, is theoretically grounded, and, as we show, effective in practice. In this paper, we focus on the time series forecasting problem and show that, by tailoring the gradient estimators to the graph learning problem, we are able to achieve state-of-the-art performance while controlling the sparsity of the learned graph and the computational scalability. We empirically assess the effectiveness of the proposed method on synthetic and real-world benchmarks, showing that the proposed solution can be used as a stand-alone graph identification procedure as well as a graph learning component of an end-to-end forecasting architecture.  ( 2 min )

Human visual perception can easily generalize to out-of-distributed visual data, which is far beyond the capability of modern machine learning models. Domain generalization (DG) aims to close this gap, with existing DG methods mainly focusing on the loss function design. In this paper, we propose to explore an orthogonal direction, i.e., the design of the backbone architecture. It is motivated by an empirical finding that transformer-based models trained with empirical risk minimization (ERM) outperform CNN-based models employing state-of-the-art (SOTA) DG algorithms on multiple DG datasets. We develop a formal framework to characterize a network's robustness to distribution shifts by studying its architecture's alignment to the correlations in the dataset. This analysis guides us to propose a novel DG model built upon vision transformers, namely Generalizable Mixture-of-Experts (GMoE). Extensive experiments on DomainBed demonstrate that GMoE trained with ERM outperforms SOTA DG baselines by a large margin. Moreover, GMoE is complementary to existing DG methods and its performance is substantially improved when trained with DG algorithms.  ( 2 min )

In model selection problems for machine learning, the desire for a well-performing model with meaningful structure is typically expressed through a regularized optimization problem. In many scenarios, however, the meaningful structure is specified in some discrete space, leading to difficult nonconvex optimization problems. In this paper, we connect the model selection problem with structure-promoting regularizers to submodular function minimization with continuous and discrete arguments. In particular, we leverage the theory of submodular functions to identify a class of these problems that can be solved exactly and efficiently with an agnostic combination of discrete and continuous optimization routines. We show how simple continuous or discrete constraints can also be handled for certain problem classes and extend these ideas to a robust optimization framework. We also show how some problems outside of this class can be embedded within the class, further extending the class of problems our framework can accommodate. Finally, we numerically validate our theoretical results with several proof-of-concept examples with synthetic and real-world data, comparing against state-of-the-art algorithms.  ( 2 min )

We study non-parametric estimation of the value function of an infinite-horizon $\gamma$-discounted Markov reward process (MRP) using observations from a single trajectory. We provide non-asymptotic guarantees for a general family of kernel-based multi-step temporal difference (TD) estimates, including canonical $K$-step look-ahead TD for $K = 1, 2, \ldots$ and the TD$(\lambda)$ family for $\lambda \in [0,1)$ as special cases. Our bounds capture its dependence on Bellman fluctuations, mixing time of the Markov chain, any mis-specification in the model, as well as the choice of weight function defining the estimator itself, and reveal some delicate interactions between mixing time and model mis-specification. For a given TD method applied to a well-specified model, its statistical error under trajectory data is similar to that of i.i.d. sample transition pairs, whereas under mis-specification, temporal dependence in data inflates the statistical error. However, any such deterioration can be mitigated by increased look-ahead. We complement our upper bounds by proving minimax lower bounds that establish optimality of TD-based methods with appropriately chosen look-ahead and weighting, and reveal some fundamental differences between value function estimation and ordinary non-parametric regression.

The scalability of recurrent neural networks (RNNs) is hindered by the sequential dependence of each time step's computation on the previous time step's output. Therefore, one way to speed up and scale RNNs is to reduce the computation required at each time step independent of model size and task. In this paper, we propose a model that reformulates Gated Recurrent Units (GRU) as an event-based activity-sparse model that we call the Event-based GRU (EGRU), where units compute updates only on receipt of input events (event-based) from other units. When combined with having only a small fraction of the units active at a time (activity-sparse), this model has the potential to be vastly more compute efficient than current RNNs. Notably, activity-sparsity in our model also translates into sparse parameter updates during gradient descent, extending this compute efficiency to the training phase. We show that the EGRU demonstrates competitive performance compared to state-of-the-art recurrent network models in real-world tasks, including language modeling while maintaining high activity sparsity naturally during inference and training. This sets the stage for the next generation of recurrent networks that are scalable and more suitable for novel neuromorphic hardware.  ( 2 min )

Linear classifier probes are frequently utilized to better understand how neural networks function. Researchers have approached the problem of determining unit importance in neural networks by probing their learned, internal representations. Linear classifier probes identify highly selective units as the most important for network function. Whether or not a network actually relies on high selectivity units can be tested by removing them from the network using ablation. Surprisingly, when highly selective units are ablated they only produce small performance deficits, and even then only in some cases. In spite of the absence of ablation effects for selective neurons, linear decoding methods can be effectively used to interpret network function, leaving their effectiveness a mystery. To falsify the exclusive role of selectivity in network function and resolve this contradiction, we systematically ablate groups of units in subregions of activation space. Here, we find a weak relationship between neurons identified by probes and those identified by ablation. More specifically, we find that an interaction between selectivity and the average activity of the unit better predicts ablation performance deficits for groups of units in AlexNet, VGG16, MobileNetV2, and ResNet101. Linear decoders are likely somewhat effective because they overlap with those units that are causally important for network function. Interpretability methods could be improved by focusing on causally important units.  ( 3 min )

Although prediction models for delirium, a commonly occurring condition during general hospitalization or post-surgery, have not gained huge popularity, their algorithmic bias evaluation is crucial due to the existing association between social determinants of health and delirium risk. In this context, using MIMIC-III and another academic hospital dataset, we present some initial experimental evidence showing how sociodemographic features such as sex and race can impact the model performance across subgroups. With this work, our intent is to initiate a discussion about the intersectionality effects of old age, race and socioeconomic factors on the early-stage detection and prevention of delirium using ML.  ( 2 min )

Sepsis is a life-threatening condition with organ dysfunction and is a leading cause of death and critical illness worldwide. Accurate detection of sepsis during emergency department triage would allow early initiation of lab analysis, antibiotic administration, and other sepsis treatment protocols. The purpose of this study was to determine whether EHR data can be extracted and synthesized with the latest machine learning algorithms (KATE Sepsis) and clinical natural language processing to produce accurate sepsis models, and compare KATE Sepsis performance with existing sepsis screening protocols, such as SIRS and qSOFA. A machine learning model (KATE Sepsis) was developed using patient encounters with triage data from 16 participating hospitals. KATE Sepsis, SIRS, standard screening (SIRS with source of infection) and qSOFA were tested in three settings. Cohort-A was a retrospective analysis on medical records from a single Site 1. Cohort-B was a prospective analysis of Site 1. Cohort-C was a retrospective analysis on Site 1 with 15 additional sites. Across all cohorts, KATE Sepsis demonstrates an AUC of 0.94-0.963 with 73-74.87% TPR and 3.76-7.17% FPR. Standard screening demonstrates an AUC of 0.682-0.726 with 39.39-51.19% TPR and 2.9-6.02% FPR. The qSOFA protocol demonstrates an AUC of 0.544-0.56, with 10.52-13.18% TPR and 1.22-1.68% FPR. For severe sepsis, across all cohorts, KATE Sepsis demonstrates an AUC of 0.935-0.972 with 70-82.26% TPR and 4.64-8.62% FPR. For septic shock, across all cohorts, KATE Sepsis demonstrates an AUC of 0.96-0.981 with 85.71-89.66% TPR and 4.85-8.8% FPR. SIRS, standard screening, and qSOFA demonstrate low AUC and TPR for severe sepsis and septic shock detection. KATE Sepsis provided substantially better sepsis detection performance in triage than commonly used screening protocols.  ( 3 min )

The abundance of dark matter (DM) subhalos orbiting a host galaxy is a generic prediction of the cosmological framework, and is a promising way to constrain the nature of DM. In this paper, we investigate the use of machine learning-based tools to quantify the magnitude of phase-space perturbations caused by the passage of DM subhalos. A simple binary classifier and an anomaly detection model are proposed to estimate if stars or star particles close to DM subhalos are statistically detectable in simulations. The simulated datasets are three Milky Way-like galaxies and nine synthetic Gaia DR2 surveys derived from these. Firstly, we find that the anomaly detection algorithm, trained on a simulated galaxy with full 6D kinematic observables and applied on another galaxy, is nontrivially sensitive to the DM subhalo population. On the other hand, the classification-based approach is not sufficiently sensitive due to the extremely low statistics of signal stars for supervised training. Finally, the sensitivity of both algorithms in the Gaia-like surveys is negligible. The enormous size of the Gaia dataset motivates the further development of scalable and accurate data analysis methods that could be used to select potential regions of interest for DM searches to ultimately constrain the Milky Way's subhalo mass function, as well as simulations where to study the sensitivity of such methods under different signal hypotheses.  ( 3 min )

As a hot research topic, many multi-view clustering approaches are proposed over the past few years. Nevertheless, most existing algorithms merely take the consensus information among different views into consideration for clustering. Actually, it may hinder the multi-view clustering performance in real-life applications, since different views usually contain diverse statistic properties. To address this problem, we propose a novel Tensor-based Intrinsic Subspace Representation Learning (TISRL) for multi-view clustering in this paper. Concretely, the rank preserving decomposition is proposed firstly to effectively deal with the diverse statistic information contained in different views. Then, to achieve the intrinsic subspace representation, the tensor-singular value decomposition based low-rank tensor constraint is also utilized in our method. It can be seen that specific information contained in different views is fully investigated by the rank preserving decomposition, and the high-order correlations of multi-view data are also mined by the low-rank tensor constraint. The objective function can be optimized by an augmented Lagrangian multiplier based alternating direction minimization algorithm. Experimental results on nine common used real-world multi-view datasets illustrate the superiority of TISRL.  ( 3 min )

Federated learning (FL) has achieved great success as a privacy-preserving distributed training paradigm, where many edge devices collaboratively train a machine learning model by sharing the model updates instead of the raw data with a server. However, the heterogeneous computational and communication resources of edge devices give rise to stragglers that significantly decelerate the training process. To mitigate this issue, we propose a novel FL framework named stochastic coded federated learning (SCFL) that leverages coded computing techniques. In SCFL, before the training process starts, each edge device uploads a privacy-preserving coded dataset to the server, which is generated by adding Gaussian noise to the projected local dataset. During training, the server computes gradients on the global coded dataset to compensate for the missing model updates of the straggling devices. We design a gradient aggregation scheme to ensure that the aggregated model update is an unbiased estimate of the desired global update. Moreover, this aggregation scheme enables periodical model averaging to improve the training efficiency. We characterize the tradeoff between the convergence performance and privacy guarantee of SCFL. In particular, a more noisy coded dataset provides stronger privacy protection for edge devices but results in learning performance degradation. We further develop a contract-based incentive mechanism to coordinate such a conflict. The simulation results show that SCFL learns a better model within the given time and achieves a better privacy-performance tradeoff than the baseline methods. In addition, the proposed incentive mechanism grants better training performance than the conventional Stackelberg game approach.  ( 3 min )

With the rising need of interpretable machine learning methods, there is a necessity for a rise in human effort to provide diverse explanations of the influencing factors of the model decisions. To improve the trust and transparency of AI-based systems, the EXplainable Artificial Intelligence (XAI) field has emerged. The XAI paradigm is bifurcated into two main categories: feature attribution and counterfactual explanation methods. While feature attribution methods are based on explaining the reason behind a model decision, counterfactual explanation methods discover the smallest input changes that will result in a different decision. In this paper, we aim at building trust and transparency in time series models by using motifs to generate counterfactual explanations. We propose Motif-Guided Counterfactual Explanation (MG-CF), a novel model that generates intuitive post-hoc counterfactual explanations that make full use of important motifs to provide interpretive information in decision-making processes. To the best of our knowledge, this is the first effort that leverages motifs to guide the counterfactual explanation generation. We validated our model using five real-world time-series datasets from the UCR repository. Our experimental results show the superiority of MG-CF in balancing all the desirable counterfactual explanations properties in comparison with other competing state-of-the-art baselines.  ( 2 min )

Channel estimation is a critical task in multiple-input multiple-output (MIMO) digital communications that substantially effects end-to-end system performance. In this work, we introduce a novel approach for channel estimation using deep score-based generative models. A model is trained to estimate the gradient of the logarithm of a distribution and is used to iteratively refine estimates given measurements of a signal. We introduce a framework for training score-based generative models for wireless MIMO channels and performing channel estimation based on posterior sampling at test time. We derive theoretical robustness guarantees for channel estimation with posterior sampling in single-input single-output scenarios, and experimentally verify performance in the MIMO setting. Our results in simulated channels show competitive in-distribution performance, and robust out-of-distribution performance, with gains of up to $5$ dB in end-to-end coded communication performance compared to supervised deep learning methods. Simulations on the number of pilots show that high fidelity channel estimation with $25$% pilot density is possible for MIMO channel sizes of up to $64 \times 256$. Complexity analysis reveals that model size can efficiently trade performance for estimation latency, and that the proposed approach is competitive with compressed sensing in terms of floating-point operation (FLOP) count.  ( 2 min )

We present SLATE, a sequence labeling approach for extracting tasks from free-form content such as digitally handwritten (or "inked") notes on a virtual whiteboard. Our approach allows us to create a single, low-latency model to simultaneously perform sentence segmentation and classification of these sentences into task/non-task sentences. SLATE greatly outperforms a baseline two-model (sentence segmentation followed by classification model) approach, achieving a task F1 score of 84.4\%, a sentence segmentation (boundary similarity) score of 88.4% and three times lower latency compared to the baseline. Furthermore, we provide insights into tackling challenges of performing NLP on the inking domain. We release both our code and dataset for this novel task.  ( 2 min )

Linear structural causal models (SCMs) -- in which each observed variable is generated by a subset of the other observed variables as well as a subset of the exogenous sources -- are pervasive in causal inference and casual discovery. However, for the task of causal discovery, existing work almost exclusively focus on the submodel where each observed variable is associated with a distinct source with non-zero variance. This results in the restriction that no observed variable can deterministically depend on other observed variables or latent confounders. In this paper, we extend the results on structure learning by focusing on a subclass of linear SCMs which do not have this property, i.e., models in which observed variables can be causally affected by any subset of the sources, and are allowed to be a deterministic function of other observed variables or latent confounders. This allows for a more realistic modeling of influence or information propagation in systems. We focus on the task of causal discovery form observational data generated from a member of this subclass. We derive a set of necessary and sufficient conditions for unique identifiability of the causal structure. To the best of our knowledge, this is the first work that gives identifiability results for causal discovery under both latent confounding and deterministic relationships. Further, we propose an algorithm for recovering the underlying causal structure when the aforementioned conditions are satisfied. We validate our theoretical results both on synthetic and real datasets.  ( 3 min )

Network intrusion detection systems (NIDS) to detect malicious attacks continues to meet challenges. NIDS are vulnerable to auto-generated port scan infiltration attempts and NIDS are often developed offline, resulting in a time lag to prevent the spread of infiltration to other parts of a network. To address these challenges, we use hypergraphs to capture evolving patterns of port scan attacks via the set of internet protocol addresses and destination ports, thereby deriving a set of hypergraph-based metrics to train a robust and resilient ensemble machine learning (ML) NIDS that effectively monitors and detects port scanning activities and adversarial intrusions while evolving intelligently in real-time. Through the combination of (1) intrusion examples, (2) NIDS update rules, (3) attack threshold choices to trigger NIDS retraining requests, and (4) production environment with no prior knowledge of the nature of network traffic 40 scenarios were auto-generated to evaluate the ML ensemble NIDS comprising three tree-based models. Results show that under the model settings of an Update-ALL-NIDS rule (namely, retrain and update all the three models upon the same NIDS retraining request) the proposed ML ensemble NIDS produced the best results with nearly 100% detection performance throughout the simulation, exhibiting robustness in the complex dynamics of the simulated cyber-security scenario.  ( 2 min )

Outliers widely occur in big-data applications and may severely affect statistical estimation and inference. In this paper, a framework of outlier-resistant estimation is introduced to robustify an arbitrarily given loss function. It has a close connection to the method of trimming and includes explicit outlyingness parameters for all samples, which in turn facilitates computation, theory, and parameter tuning. To tackle the issues of nonconvexity and nonsmoothness, we develop scalable algorithms with implementation ease and guaranteed fast convergence. In particular, a new technique is proposed to alleviate the requirement on the starting point such that on regular datasets, the number of data resamplings can be substantially reduced. Based on combined statistical and computational treatments, we are able to perform nonasymptotic analysis beyond M-estimation. The obtained resistant estimators, though not necessarily globally or even locally optimal, enjoy minimax rate optimality in both low dimensions and high dimensions. Experiments in regression, classification, and neural networks show excellent performance of the proposed methodology at the occurrence of gross outliers.

The abundance of dark matter (DM) subhalos orbiting a host galaxy is a generic prediction of the cosmological framework, and is a promising way to constrain the nature of DM. In this paper, we investigate the use of machine learning-based tools to quantify the magnitude of phase-space perturbations caused by the passage of DM subhalos. A simple binary classifier and an anomaly detection model are proposed to estimate if stars or star particles close to DM subhalos are statistically detectable in simulations. The simulated datasets are three Milky Way-like galaxies and nine synthetic Gaia DR2 surveys derived from these. Firstly, we find that the anomaly detection algorithm, trained on a simulated galaxy with full 6D kinematic observables and applied on another galaxy, is nontrivially sensitive to the DM subhalo population. On the other hand, the classification-based approach is not sufficiently sensitive due to the extremely low statistics of signal stars for supervised training. Finally, the sensitivity of both algorithms in the Gaia-like surveys is negligible. The enormous size of the Gaia dataset motivates the further development of scalable and accurate data analysis methods that could be used to select potential regions of interest for DM searches to ultimately constrain the Milky Way's subhalo mass function, as well as simulations where to study the sensitivity of such methods under different signal hypotheses.  ( 3 min )

While preference modelling is becoming one of the pillars of machine learning, the problem of preference explanation remains challenging and underexplored. In this paper, we propose \textsc{Pref-SHAP}, a Shapley value-based model explanation framework for pairwise comparison data. We derive the appropriate value functions for preference models and further extend the framework to model and explain \emph{context specific} information, such as the surface type in a tennis game. To demonstrate the utility of \textsc{Pref-SHAP}, we apply our method to a variety of synthetic and real-world datasets and show that richer and more insightful explanations can be obtained over the baseline.  ( 2 min )

Polynomial kernels are among the most popular kernels in machine learning, since their feature maps model the interactions between the dimensions of the input data. However, these features correspond to tensor products of the input with itself, which makes their dimension grow exponentially with the polynomial degree. We address this issue by proposing Complexto-Real (CtR) sketches for tensor products that can be used as random feature approximations of polynomial kernels. These sketches leverage intermediate complex random projections, leading to better theoretical guarantees and potentially much lower variances than analogs using real projections. Our sketches are simple to construct and their final output is real-valued, which makes their downstream use straightforward. Finally, we show that they achieve state-of-the-art performance in terms of accuracy and speed.  ( 2 min )

We investigate how neural networks (NNs) understand physics using 1D quantum mechanics. After training an NN to accurately predict energy eigenvalues from potentials, we used it to confirm the NN's understanding of physics from four different aspects. The trained NN could predict energy eigenvalues of different kinds of potentials than the ones learned, predict the probability distribution of the existence of particles not used during training, reproduce untrained physical phenomena, and predict the energy eigenvalues of potentials with an unknown matter effect. These results show that NNs can learn physical laws from experimental data, predict the results of experiments under conditions different from those used for training, and predict physical quantities of types not provided during training. Because NNs understand physics in a different way than humans, they will be a powerful tool for advancing physics by complementing the human way of understanding.  ( 2 min )

The logit outputs of a feedforward neural network at initialization are conditionally Gaussian, given a random covariance matrix defined by the penultimate layer. In this work, we study the distribution of this random matrix. Recent work has shown that shaping the activation function as network depth grows large is necessary for this covariance matrix to be non-degenerate. However, the current infinite-width-style understanding of this shaping method is unsatisfactory for large depth: infinite-width analyses ignore the microscopic fluctuations from layer to layer, but these fluctuations accumulate over many layers. To overcome this shortcoming, we study the random covariance matrix in the shaped infinite-depth-and-width limit. We identify the precise scaling of the activation function necessary to arrive at a non-trivial limit, and show that the random covariance matrix is governed by a stochastic differential equation (SDE) that we call the Neural Covariance SDE. Using simulations, we show that the SDE closely matches the distribution of the random covariance matrix of finite networks. Additionally, we recover an if-and-only-if condition for exploding and vanishing norms of large shaped networks based on the activation function.  ( 2 min )

Motivated by recent success of Machine Learning (ML) tools in wireless communications, the idea of semantic communication by Weaver from 1949 has received considerable attention. It breaks with the classic design paradigm of Shannon by aiming to transmit the meaning of a message, i.e., semantics, rather than its exact copy and thus allows for savings in channel uses or information rate. In this work, we extend the fundamental approach from Basu et al. for modeling semantics from logical to probabilistic entailment relations between meaning and messages. Thus, we model semantics by means of a hidden random variable and define the task of semantic communication as transmission of messages over a communication channel such that semantics is best preserved. We formulate the semantic communication design either as an Information Maximization or as an Information Bottleneck optimization problem. Finally, we propose the ML-based semantic communication system SINFONI for a distributed multipoint scenario: SINFONI communicates the meaning behind multiple messages that are observed at different senders to a single receiver for semantic retrieval. We analyze SINFONI by processing images as an example of messages. Numerical results reveal a tremendous rate normalized SNR shift up to 20 dB compared to classically designed communication systems.  ( 2 min )

Tensor decomposition serves as a powerful primitive in statistics and machine learning. In this paper, we focus on using power iteration to decompose an overcomplete random tensor. Past work studying the properties of tensor power iteration either requires a non-trivial data-independent initialization, or is restricted to the undercomplete regime. Moreover, several papers implicitly suggest that logarithmically many iterations (in terms of the input dimension) are sufficient for the power method to recover one of the tensor components. In this paper, we analyze the dynamics of tensor power iteration from random initialization in the overcomplete regime. Surprisingly, we show that polynomially many steps are necessary for convergence of tensor power iteration to any of the true component, which refutes the previous conjecture. On the other hand, our numerical experiments suggest that tensor power iteration successfully recovers tensor components for a broad range of parameters, despite that it takes at least polynomially many steps to converge. To further complement our empirical evidence, we prove that a popular objective function for tensor decomposition is strictly increasing along the power iteration path. Our proof is based on the Gaussian conditioning technique, which has been applied to analyze the approximate message passing (AMP) algorithm. The major ingredient of our argument is a conditioning lemma that allows us to generalize AMP-type analysis to non-proportional limit and polynomially many iterations of the power method.  ( 3 min )

We focus on causal discovery in the presence of measurement error in linear systems where the mixing matrix, i.e., the matrix indicating the independent exogenous noise terms pertaining to the observed variables, is identified up to permutation and scaling of the columns. We demonstrate a somewhat surprising connection between this problem and causal discovery in the presence of unobserved parentless causes, in the sense that there is a mapping, given by the mixing matrix, between the underlying models to be inferred in these problems. Consequently, any identifiability result based on the mixing matrix for one model translates to an identifiability result for the other model. We characterize to what extent the causal models can be identified under a two-part faithfulness assumption. Under only the first part of the assumption (corresponding to the conventional definition of faithfulness), the structure can be learned up to the causal ordering among an ordered grouping of the variables but not all the edges across the groups can be identified. We further show that if both parts of the faithfulness assumption are imposed, the structure can be learned up to a more refined ordered grouping. As a result of this refinement, for the latent variable model with unobserved parentless causes, the structure can be identified. Based on our theoretical results, we propose causal structure learning methods for both models, and evaluate their performance on synthetic data.  ( 3 min )

Graph Neural Networks (GNNs) have achieved great successes in many learning tasks performed on graph structures. Nonetheless, to propagate information GNNs rely on a message passing scheme which can become prohibitively expensive when working with industrial-scale graphs. Inspired by the PPRGo model, we propose the CorePPR model, a scalable solution that utilises a learnable convex combination of the approximate personalised PageRank and the CoreRank to diffuse multi-hop neighbourhood information in GNNs. Additionally, we incorporate a dynamic mechanism to select the most influential neighbours for a particular node which reduces training time while preserving the performance of the model. Overall, we demonstrate that CorePPR outperforms PPRGo, particularly on large graphs where selecting the most influential nodes is particularly relevant for scalability. Our code is publicly available at: https://github.com/arielramos97/CorePPR.  ( 2 min )

We study non-parametric estimation of the value function of an infinite-horizon $\gamma$-discounted Markov reward process (MRP) using observations from a single trajectory. We provide non-asymptotic guarantees for a general family of kernel-based multi-step temporal difference (TD) estimates, including canonical $K$-step look-ahead TD for $K = 1, 2, \ldots$ and the TD$(\lambda)$ family for $\lambda \in [0,1)$ as special cases. Our bounds capture its dependence on Bellman fluctuations, mixing time of the Markov chain, any mis-specification in the model, as well as the choice of weight function defining the estimator itself, and reveal some delicate interactions between mixing time and model mis-specification. For a given TD method applied to a well-specified model, its statistical error under trajectory data is similar to that of i.i.d. sample transition pairs, whereas under mis-specification, temporal dependence in data inflates the statistical error. However, any such deterioration can be mitigated by increased look-ahead. We complement our upper bounds by proving minimax lower bounds that establish optimality of TD-based methods with appropriately chosen look-ahead and weighting, and reveal some fundamental differences between value function estimation and ordinary non-parametric regression.  ( 2 min )

This paper studies reinforcement learning (RL) in doubly inhomogeneous environments under temporal non-stationarity and subject heterogeneity. In a number of applications, it is commonplace to encounter datasets generated by system dynamics that may change over time and population, challenging high-quality sequential decision making. Nonetheless, most existing RL solutions require either temporal stationarity or subject homogeneity, which would result in sub-optimal policies if both assumptions were violated. To address both challenges simultaneously, we propose an original algorithm to determine the ``best data chunks" that display similar dynamics over time and across individuals for policy learning, which alternates between most recent change point detection and cluster identification. Our method is general, and works with a wide range of clustering and change point detection algorithms. It is multiply robust in the sense that it takes multiple initial estimators as input and only requires one of them to be consistent. Moreover, by borrowing information over time and population, it allows us to detect weaker signals and has better convergence properties when compared to applying the clustering algorithm per time or the change point detection algorithm per subject. Empirically, we demonstrate the usefulness of our method through extensive simulations and a real data application.  ( 2 min )

Hierarchical time series are common in several applied fields. Forecasts are required to be coherent, that is, to satisfy the constraints given by the hierarchy. The most popular technique to enforce coherence is called reconciliation, which adjusts the base forecasts computed for each time series. However, recent works on probabilistic reconciliation present several limitations. In this paper, we propose a new approach based on conditioning to reconcile any type of forecast distribution. We then introduce a new algorithm, called Bottom-Up Importance Sampling, to efficiently sample from the reconciled distribution. It can be used for any base forecast distribution: discrete, continuous, or in the form of samples, providing a major speedup compared to the current methods. Experiments on several temporal hierarchies show a significant improvement over base probabilistic forecasts.  ( 2 min )

We establish a high-dimensional statistical learning framework for individualized asset allocation. Our proposed methodology addresses continuous-action decision-making with a large number of characteristics. We develop a discretization approach to model the effect of continuous actions and allow the discretization frequency to be large and diverge with the number of observations. The value function of continuous-action is estimated using penalized regression with our proposed generalized penalties that are imposed on linear transformations of the model coefficients. We show that our proposed Discretization and Regression with generalized fOlded concaVe penalty on Effect discontinuity (DROVE) approach enjoys desirable theoretical properties and allows for statistical inference of the optimal value associated with optimal decision-making. Empirically, the proposed framework is exercised with the Health and Retirement Study data in finding individualized optimal asset allocation. The results show that our individualized optimal strategy improves the population financial well-being.  ( 2 min )

In data-parallel optimization of machine learning models, workers collaborate to improve their estimates of the model: more accurate gradients allow them to use larger learning rates and optimize faster. We consider the setting in which all workers sample from the same dataset, and communicate over a sparse graph (decentralized). In this setting, current theory fails to capture important aspects of real-world behavior. First, the 'spectral gap' of the communication graph is not predictive of its empirical performance in (deep) learning. Second, current theory does not explain that collaboration enables larger learning rates than training alone. In fact, it prescribes smaller learning rates, which further decrease as graphs become larger, failing to explain convergence in infinite graphs. This paper aims to paint an accurate picture of sparsely-connected distributed optimization when workers share the same data distribution. We quantify how the graph topology influences convergence in a quadratic toy problem and provide theoretical results for general smooth and (strongly) convex objectives. Our theory matches empirical observations in deep learning, and accurately describes the relative merits of different graph topologies.  ( 2 min )

Default implementations of Bayesian Additive Regression Trees (BART) represent categorical predictors using several binary indicators, one for each level of each categorical predictor. Regression trees built with these indicators partition the levels using a ``remove one a time strategy.'' Unfortunately, the vast majority of partitions of the levels cannot be built with this strategy, severely limiting BART's ability to ``borrow strength'' across groups of levels. We overcome this limitation with a new class of regression tree and a new decision rule prior that can assign multiple levels to both the left and right child of a decision node. Motivated by spatial applications with areal data, we introduce a further decision rule prior that partitions the areas into spatially contiguous regions by deleting edges from random spanning trees of a suitably defined network. We implemented our new regression tree priors in the flexBART package, which, compared to existing implementations, often yields improved out-of-sample predictive performance without much additional computational burden. We demonstrate the efficacy of flexBART using examples from baseball and the spatiotemporal modeling of crime.  ( 2 min )

A matrix free and a low rank approximation preconditioner are proposed to accelerate the convergence of stochastic gradient descent (SGD) by exploiting curvature information sampled from Hessian-vector products or finite differences of parameters and gradients similar to the BFGS algorithm. Both preconditioners are fitted with an online updating manner minimizing a criterion that is free of line search and robust to stochastic gradient noise, and further constrained to be on certain connected Lie groups to preserve their corresponding symmetry or invariance, e.g., orientation of coordinates by the connected general linear group with positive determinants. The Lie group's equivariance property facilitates preconditioner fitting, and its invariance property saves any need of damping, which is common in second-order optimizers, but difficult to tune. The learning rate for parameter updating and step size for preconditioner fitting are naturally normalized, and their default values work well in most situations.  ( 2 min )

Parameter space reduction has been proved to be a crucial tool to speed-up the execution of many numerical tasks such as optimization, inverse problems, sensitivity analysis, and surrogate models' design, especially when in presence of high-dimensional parametrized systems. In this work we propose a new method called local active subspaces (LAS), which explores the synergies of active subspaces with supervised clustering techniques in order to carry out a more efficient dimension reduction in the parameter space. The clustering is performed without losing the input-output relations by introducing a distance metric induced by the global active subspace. We present two possible clustering algorithms: K-medoids and a hierarchical top-down approach, which is able to impose a variety of subdivision criteria specifically tailored for parameter space reduction tasks. This method is particularly useful for the community working on surrogate modelling. Frequently, the parameter space presents subdomains where the objective function of interest varies less on average along different directions. So, it could be approximated more accurately if restricted to those subdomains and studied separately. We tested the new method over several numerical experiments of increasing complexity, we show how to deal with vectorial outputs, and how to classify the different regions with respect to the local active subspace dimension. Employing this classification technique as a preprocessing step in the parameter space, or output space in case of vectorial outputs, brings remarkable results for the purpose of surrogate modelling.  ( 3 min )

Detecting change-points in data is challenging because of the range of possible types of change and types of behaviour of data when there is no change. Statistically efficient methods for detecting a change will depend on both of these features, and it can be difficult for a practitioner to develop an appropriate detection method for their application of interest. We show how to automatically generate new detection methods based on training a neural network. Our approach is motivated by many existing tests for the presence of a change-point being able to be represented by a simple neural network, and thus a neural network trained with sufficient data should have performance at least as good as these methods. We present theory that quantifies the error rate for such an approach, and how it depends on the amount of training data. Empirical results show that, even with limited training data, its performance is competitive with the standard CUSUM test for detecting a change in mean when the noise is independent and Gaussian, and can substantially outperform it in the presence of auto-correlated or heavy-tailed noise. Our method also shows strong results in detecting and localising changes in activity based on accelerometer data.  ( 2 min )

While $\ell_2$ regularization is widely used in training gradient boosted trees, popular individualized feature attribution methods for trees such as Saabas and TreeSHAP overlook the training procedure. We propose Prediction Decomposition Attribution (PreDecomp), a novel individualized feature attribution for gradient boosted trees when they are trained with $\ell_2$ regularization. Theoretical analysis shows that the inner product between PreDecomp and labels on in-sample data is essentially the total gain of a tree, and that it can faithfully recover additive models in the population case when features are independent. Inspired by the connection between PreDecomp and total gain, we also propose TreeInner, a family of debiased global feature attributions defined in terms of the inner product between any individualized feature attribution and labels on out-sample data for each tree. Numerical experiments on a simulated dataset and a genomic ChIP dataset show that TreeInner has state-of-the-art feature selection performance. Code reproducing experiments is available at https://github.com/nalzok/TreeInner .  ( 2 min )

submitted by /u/AstralTourist [link] [comments]  ( 46 min )

So I came to know about hotpot colourize old photo, and I started playing with it, using random black and white photos from diff website So one photo had a white girl and the colourised photo had golden blonde hair with slightly whitish brown skin I was intrigued by how it chooses colour So I added a lion, and the colorized photo was closed to real, tawny brown colour then I added the photo of Indian boys playing with water and they had dark skin with black hair, they could have been slightly lighter skin, but still pretty close to accurate Then I added a black woman with Afro hair and she got dark skin, it was not that great coloured, but pretty close And then I lastly added a Japanese woman and she got light skin And then I added Indonesian man, got dark skin does AI know what ethnicity the person in the image belongs to? if so, then pretty intriguing and scary at same time thanks for your response, have a great day/night submitted by /u/Awkward-Insurance-59 [link] [comments]  ( 47 min )

submitted by /u/elitta23 [link] [comments]  ( 46 min )

submitted by /u/PuppetHere [link] [comments]  ( 46 min )

submitted by /u/Educational_Sector98 [link] [comments]  ( 45 min )

submitted by /u/chelsea_bear [link] [comments]  ( 49 min )

This academic plagiarist has gotten hundreds of thousands of dollars for AI ethics research(https://www.umu.se/globalassets/qbank/andreastheodorouvirginiadignum-26433crop001155650resize1154649autoorientquality90density150stripextensionjpgid16.jpg?format=webp&mode=crop&width=1280): $300000 for EXPLAIN (2022-25) where he is the primary investigator for Umeå University. Funded by the Vinnova under Eureka ITEA/4 AI Cluster. $140000 for the project "RAIN"(that appears to be just a dubious presentation long after the funder has forgotten about their money) and several hundred thousand dollars more for other "research projects" related to AI ethics and transparency. The funniest part is that he claimed on a number of occasions that he has been cleared of the accusations by NPOF(a Swedish institution investigating academic misconduct) but NPOF writes the following: Thank you for your inquiryWe received a report regarding Andreas Theodorou and his dissertation in 2020. Theodorou made the dissertation in the UK. The dissertation is not made within Swedish jurisdiction and can not be investigated by Npof.Kind regardsRegistrator and his alma mater for obvious reasons refuses to investigate him. All the while he is being aggressively promoted by some Virginia Dignum a self-promoting AI-ethics professor who among academics is considered highly proficient in academic politics. For more info go here:https://andreasplagiarism.wordpress.com/2020/12/02/andreas-theodorou-committed-plagiarism-in-his-phd-thesis/ or google "Theodorou plagiarism". submitted by /u/lexquests [link] [comments]  ( 46 min )

submitted by /u/Available_Tadpole829 [link] [comments]  ( 44 min )

Hey guys! This is on here cause there is no genetic algorithm subreddit and it is a similar field to AI. A while ago I noticed there were no good genetic algorithm libraries. So these last few weeks have been busy... Anyways, here is the GitHub link: dadukhankevin/Finch: A Keras style GA genetic algorithm library (github.com) Here is a basic example of a GA that finds solutions to equations. It evolves and presents the best answer it can come up with. There's more info on the GitHub page ^ from Finch.FinchGA import generic from Finch.FinchGA import FitnessFunctions as ff from Finch.FinchGA import Environments, GenePools from Finch.FinchGA import Layers as l desired = 10 expression = """((x**y+z)*h)/j+t+l*k/x""" eq = generic.Equation(["x", "y", "z", "h", "j","t","l","k"], expression, desired=desired) fitness = ff.EquationFitness(desired_result=desired, equation = eq) pool = GenePools.GenePool(list(range(1, 150)), fitness.func, mx=100, mn=0.001) env = Environments.SequentialEnvironment(layers=[ l.GenerateData(pool, population=30, array_length=8), l.SortFitness(), l.Mutate(pool, select_percent=50, likelihood=10), l.NarrowGRN(pool, delay=1, method="best", amount=1, reward=.2, penalty=.05, mn=.1, mx=200, every=1), l.UpdateWeights(pool), l.Parents(pool, gene_size=1, family_size=6, percent=100, every=4, method="best", amount=2), # parents the best ones l.KeepLength(100), #keeps a low population ]) env.compile(epochs=100,every=10, fitness=fitness.func, stop_threshold=.99) hist, data = env.simulate_env() info = env.display_history() print("best percent: "+str(env.best)) print("best individual: "+str(env.best_ind.chromosome.get_raw())) print(info) env.plot() Please play around with it and give me feedback! submitted by /u/danieljames10000 [link] [comments]  ( 45 min )

So I'm interested in Multi-Level Models and am looking at building a simulator using some data that I have acquired (with the eventual goal to do some hierarchical RL using the simulator). I have two primary decisions that I'm analyzing and a ton of samples of actions being taken/the outcome being recorded re: these two decisions. Is there a direction you guys would suggest heading in to build this simulator? I know that it obviously won't be exact because there are actions within certain states that my sample set does not contain, but I'd like to estimate that in my simulator so that when I apply hierarchical RL, I can have a proof-of-concept of it actually working. Any help would be greatly appreciated! submitted by /u/darth_catnip [link] [comments]  ( 51 min )

Anyone who’s taken a photo with a digital camera is likely familiar with a “noisy” image: discolored spots that make the photo lose clarity and sharpness. Many photographers have tips and tricks to reduce noise in images, including fixing the settings on the camera lens or taking photos in different lighting. But it isn’t just Read article > The post What Is Denoising? appeared first on NVIDIA Blog.  ( 6 min )

Just like many businesses, the world of industrial scientific computing has a data problem. Solving seemingly intractable challenges — from developing new energy sources and creating new modes of transportation, to addressing mission-critical issues such as driving operational efficiencies and improving customer support — requires massive amounts of high performance computing. Instead of having to Read article > The post NVIDIA AI Turbocharges Industrial Research, Scientific Discovery in the Cloud on Rescale HPC-as-a-Service Platform appeared first on NVIDIA Blog.  ( 5 min )

Two months after their debut sweeping MLPerf inference benchmarks, NVIDIA H100 Tensor Core GPUs set world records across enterprise AI workloads in the industry group’s latest tests of AI training. Together, the results show H100 is the best choice for users who demand utmost performance when creating and deploying advanced AI models. MLPerf is the Read article > The post NVIDIA Hopper, Ampere GPUs Sweep Benchmarks in AI Training appeared first on NVIDIA Blog.  ( 5 min )

It’s a new age for safety. Volvo Cars unveiled the Volvo EX90 SUV today in Stockholm, marking the beginning of a new era of electrification, technology and safety for the automaker. The flagship vehicle is redesigned from tip to tail — with a new powertrain, branding and software-defined AI compute — powered by the centralized Read article > The post New Volvo EX90 SUV Heralds AI Era for Swedish Automaker, Built on NVIDIA DRIVE appeared first on NVIDIA Blog.  ( 4 min )

Call it the ultimate example of a job that’s sometimes best done remotely. Wildlife researchers say rhinos are magnificent beasts, but they like to be left alone, especially when they’re with their young. In the latest example of how researchers are using the latest technologies to track animals less invasively, a team of researchers has Read article > The post HORN Free! Roaming Rhinos Could Be Guarded by AI Drones appeared first on NVIDIA Blog.  ( 4 min )

Neurosymbolic Programming (NP) techniques have the potential to accelerate scientific discovery. These models combine neural and symbolic components to learn complex patterns and representations from data, using high-level concepts or known constraints. NP techniques can interface with symbolic domain knowledge from scientists, such as prior knowledge and experimental context, to produce interpretable outputs. We identify opportunities and challenges between current NP models and scientific workflows, with real-world examples from behavior analysis in science: to enable the use of NP broadly for workflows across the natural and social sciences. https://preview.redd.it/kkzt8t6f8zy91.png?width=2258&format=png&auto=webp&s=d808675ecd7837425fb12a92009dd0d3e0fa5f68 Paper: https://arxiv.org/abs/2210.05050 submitted by /u/insider_7 [link] [comments]  ( 56 min )

Hey, I was wondering if there rules on how to choose the base learning to use to finetune a pre-trained CNN. Like for a pretrained mobilnet,resnext or a convnext what learning rate to use for finetuning ? Thank ! submitted by /u/Meddhouib10 [link] [comments]  ( 58 min )

Hello, I'm wondering if during learning tasks there is an advantage in taking the average Gradient of a small Volume in our parameter space compared to just taking the Gradient of the one center point in that parameter-space volume. Edit: I noticed that i have some people confused, and rightly so, because i didn't mention some aspects. The computational overhead of the average of such many points not important, why is not important but it has to do with the fact that this can be extremely cheap on a quantum computer. My question more precisely would be, given the face that computational overhead can be ignored, are there in general theoretical advantages in taking the average over a volume in comparison to just at a point. I am a physicist and have only some experience in ML. My thesis is at the moment in Quantum Machine Learning and this question ahs been central to my research for some weeks. But unfortunately i can't find anything online that regards this question. I was wondering if someone here, would have some insights to this question. submitted by /u/CPOOCPOS [link] [comments]  ( 66 min )

I'm interested in understanding how "deep" the pool of images is that can be brought up with e.g. the model used by Stable Diffusion (as it is deterministic). So how many distinct 512x512 images (feel free to disregard off aspect ratio generation) can be constructed given e.g., The default training set used in Stable Diffusion 1.5 (a subset of LAION-5b) The 860M UNet and 123M CLIP ViT-L/14 text encoder If it makes any difference, feel free to disregard the "image to image" capabilities as well. submitted by /u/spcrngr [link] [comments]  ( 58 min )

https://youtu.be/W5M-dvzpzSQ So-called responsible AI licenses are stupid, counterproductive, and have a dangerous legal loophole in them. ​ OpenRAIL++ License here: https://www.ykilcher.com/license ​ OUTLINE: 0:00 - Introduction 0:40 - Responsible AI Licenses (RAIL) of BLOOM and Stable Diffusion 3:35 - Open source software's dilemma of bad usage and restrictions 8:45 - Good applications, bad applications 12:45 - A dangerous legal loophole 15:50 - OpenRAIL++ License 16:50 - This has nothing to do with copyright 26:00 - Final thoughts submitted by /u/ykilcher [link] [comments]  ( 61 min )

I've been building unweave.io as a zero setup way of running your machine learning code serverlessly on GPUs. We get asked whether we support Notebooks on Unweave all the time. So, we put together a serverless Jupyter Lab Portal built on top of Unweave: playground.unweave.io You can choose from 5 different GPUs or use CPU only. The lab comes with an `uwstore` folder at the root of the repository. Any files you add there will be persisted across multiple sessions. We've pre-loaded all labs with a set of commonly used ML dependencies. If you'd like to add additional dependencies, you can install them directly in the Jupyter Lab and save them to a `requirements.txt` or `environment.yml` file. Unweave will automatically reinstall these dependencies the next time you start a lab. Since we let you run on GPUs (which are very expensive) unfortunately we can't make it free. However, we've credited each account with $5 to start off with. Billing is by the minute and cheaper than AWS and GCP :) I'd love to hear what you think! P.S. Here's a demo: https://www.loom.com/share/0a06836e9832472d853b75bcae334020 submitted by /u/doyougitme [link] [comments]  ( 59 min )

Author here -- here is a review paper that we have been working on for a while, was hoping to get a little discussion going on it! In it we survey deep learning within astronomy, and identify three historical waves. We plot astronomical connectionism's course from the early days of training multilayer perceptrons on expertly derived emergent parameters, through the second wave of training recurrent and convolutional neural networks on raw data, and the third wave of self-supervised, unsupervised and generative learning. Along the way we try to build up a solid theoretical foundation and intuition for deep learning frameworks as a primer for someone new to the field. We also have some cool conclusions in section 9 about where the field is going (foundation models!), and a surprise at the end of section 1. https://arxiv.org/abs/2211.03796 submitted by /u/Smith4242 [link] [comments]  ( 55 min )

Hi, will modifying the same images slightly improve the algorithm's capacity to recognize? I have a fixed set of images and want to maximize the variations without adding new images. submitted by /u/Stemvid [link] [comments]  ( 58 min )

submitted by /u/C0hentheBarbarian [link] [comments]  ( 56 min )

I have gone through a lot of stuff which explains the MinTrace reconciliation method but haven't found anything substantial. Any sort of help would be highly appreciated! submitted by /u/Impossible_Special92 [link] [comments]  ( 56 min )

Let me start by sharing this list: https://github.com/clvrai/awesome-rl-envs Are there other awesome RL environments you know of? and when you have an algorithm or an idea, how do you choose what environment to test it on? do you simply use the same environments are everyone? I have seen a lot of papers do maze navigation and kitchen manipulation, but maybe my sample is biased towards those papers. Is there a standard benchmark environment for RL? Of course, I know it also depends whether you are doing online vs offline RL, dense vs sparse reward. So, I don't expect a concrete answer, but I'd like to hear some guiding principles. submitted by /u/carlml [link] [comments]  ( 55 min )

Assuming my loss is of the form sum |NN(x_i) - y_i|^2 Then I can take minibatches to train my neural network. I've observed that smaller batches lead to better performance (with bigger batches the loss plateaus quickly, with smaller batches I am able to get a smaller loss). Now I want to parallelize training over multiple devices. If I would just send batches to different devices, take the gradient w.r.t. that batch (of say size 16) on each device (say 4) and then apply all the gradients simultaneously that would be equivalent to just using a larger batch (in this case 16x4 = 64). Is there any way to parallelize the training without increasing batch size? submitted by /u/ButterscotchLost421 [link] [comments]  ( 57 min )

Just wanted to give a heads up that we’ve got an upcoming course on Time Series & Forecasting. The goal is to help you solve complex business problems by making more accurate predictions with modern forecasting techniques. This course will be led by two industry leaders: Jan Gasthaus (AWS) and Tim Januschowski (ex-AWS, Zalando). In the past, Tim and his team built multiple AI services for AWS such as SageMaker, Forecast, Lookout for Metrics, and DevOps Guru. Jan was part of the teams pushing these projects forward, and also co-created the open-source deep learning forecasting library Gluon TS. Plus, like all of our courses, Time Series & Forecasting qualifies for coverage from your org’s L&D budget or personal learning stipend. Come join Tim and Jan live for 5-days of hands-on training. You can learn more about the course by clicking here: https://www.getsphere.com/cohorts/modern-forecasting-in-practice?source=Sphere-Communities-r-MachineLearning submitted by /u/lorenzo_1999 [link] [comments]  ( 58 min )

Source code: https://search-the-way-you-th.ink/3FNq2lG Marqo is a super cool new open-source initiative that enables developers to integrate user-focused search and analytics. Marqo uses deep-learning algorithms like CLIP to pull semantic meaning from images, meaning that it can seamlessly handle image-to-image, image-to-text and text-to-image search and analytics. Think command-f on your computer. We have a very comprehensive guide that allows even beginners to grasp the main concepts and experiment themselves. Can be found here: https://docs.marqo.ai/ If you are even remotely interested in implementing Marqo or playing around with it, check out Marqo.ai and star our GitHub for any future releases we bring out! P.S. If you have any feedback at all please shoot me a message, we want to make this the best possible solution for developers :) happy hacking! submitted by /u/asxyolo123 [link] [comments]  ( 58 min )

The possibility to render historical data into comprehensive patterns has added soundness to many areas, and when we consider trading, it has left a giant mark and keeps growing. It is as if you’ve numerous eyes and decades of hard-earned experience to execute wonders and gains. However, mining the data alone isn’t enough to produce… Read More »How to Explore Historical Data Patterns with Machine Learning The post How to Explore Historical Data Patterns with Machine Learning appeared first on Data Science Central.  ( 20 min )

Medical imaging is an important tool for the diagnosis and localization of disease. Over the past decade, collections of medical images have grown rapidly, and open repositories such as The Cancer Imaging Archive and Imaging Data Commons have democratized access to this vast imaging data. Computational tools such as machine learning (ML) and artificial intelligence […]  ( 6 min )

Amazon SageMaker is a fully managed service for data science and machine learning (ML) workflows. It helps data scientists and developers prepare, build, train, and deploy high-quality ML models quickly by bringing together a broad set of capabilities purpose-built for ML. In 2021, AWS announced the integration of NVIDIA Triton Inference Server in SageMaker. You […]  ( 10 min )

Amazon SageMaker is a fully managed service that provides developers and data scientists the ability to quickly build, train, and deploy machine learning (ML) models. With SageMaker, you can deploy your ML models on hosted endpoints and get inference results in real time. You can easily view the performance metrics for your endpoints in Amazon […]  ( 12 min )

In rectangular coordinates, constant values of x are vertical lines and constant values of y are horizontal lines. In polar coordinates, constant values of r are circles and constant values of θ are lines from the origin. In elliptic coordinates, the position of a point is specified by two numbers, μ and ν. Constant values […] Elliptic coordinates and Laplace’s equation first appeared on John D. Cook.  ( 6 min )

Suppose you take two numbers, a and b, and repeatedly take their arithmetic mean and their geometric mean. That is, suppose we set a0 = a b0 = b then a1 = (a0 + b0)/2 b1 = √(a0 b0) and repeat this process, each new a becoming the arithmetic mean of the previous a and […] Computing arccos first appeared on John D. Cook.  ( 6 min )

This post will give examples of three similar diagrams that occur in three dissimilar areas: design of experiments, finite difference methods for PDEs, and numerical integration. Central Composite Design (CCD) The most popular design for fitting a second-order response surface is the central composite design or CCD. When there are two factors being tested, the […] Three diagrams first appeared on John D. Cook.  ( 5 min )

In this work we establish an algorithm and distribution independent non-asymptotic trade-off between the model size, excess test loss, and training loss of linear predictors. Specifically, we show that models that perform well on the test data (have low excess loss) are either "classical" -- have training loss close to the noise level, or are "modern" -- have a much larger number of parameters compared to the minimum needed to fit the training data exactly. We also provide a more precise asymptotic analysis when the limiting spectral distribution of the whitened features is Marchenko-Pastur. Remarkably, while the Marchenko-Pastur analysis is far more precise near the interpolation peak, where the number of parameters is just enough to fit the training data, in settings of most practical interest it differs from the distribution independent bound by only a modest multiplicative constant.  ( 2 min )

Nowadays, due to the widespread use of smartphones in everyday life and the improvement of computational capabilities of these devices, many complex tasks can now be deployed on them. Concerning the need for continuous monitoring of vital signs, especially for the elderly or those with certain types of diseases, the development of algorithms that can estimate vital signs using smartphones has attracted researchers worldwide. Such algorithms estimate vital signs (heart rate and oxygen saturation level) by processing an input PPG signal. These methods often apply multiple pre-processing steps to the input signal before the prediction step. This can increase the computational complexity of these methods, meaning only a limited number of mobile devices can run them. Furthermore, multiple pre-processing steps also require the design of a couple of hand-crafted stages to obtain an optimal result. This research proposes a novel end-to-end solution to mobile-based vital sign estimation by deep learning. The proposed method does not require any pre-processing. Due to the use of fully convolutional architecture, the parameter count of our proposed model is, on average, a quarter of the ordinary architectures that use fully-connected layers as the prediction heads. As a result, the proposed model has less over-fitting chance and computational complexity. A public dataset for vital sign estimation, including 62 videos collected from 35 men and 27 women, is also provided. The experimental results demonstrate state-of-the-art estimation accuracy.  ( 3 min )

Legal documents are unstructured, use legal jargon, and have considerable length, making them difficult to process automatically via conventional text processing techniques. A legal document processing system would benefit substantially if the documents could be segmented into coherent information units. This paper proposes a new corpus of legal documents annotated (with the help of legal experts) with a set of 13 semantically coherent units labels (referred to as Rhetorical Roles), e.g., facts, arguments, statute, issue, precedent, ruling, and ratio. We perform a thorough analysis of the corpus and the annotations. For automatically segmenting the legal documents, we experiment with the task of rhetorical role prediction: given a document, predict the text segments corresponding to various roles. Using the created corpus, we experiment extensively with various deep learning-based baseline models for the task. Further, we develop a multitask learning (MTL) based deep model with document rhetorical role label shift as an auxiliary task for segmenting a legal document. The proposed model shows superior performance over the existing models. We also experiment with model performance in the case of domain transfer and model distillation techniques to see the model performance in limited data conditions.

Large pre-trained, zero-shot capable models have shown considerable success both for standard transfer and adaptation tasks, with particular robustness towards distribution shifts. In addition, subsequent fine-tuning can considerably improve performance on a selected downstream task. However, through naive fine-tuning, these zero-shot models lose their generalizability and robustness towards distribution shifts. This is a particular problem for tasks such as Continual Learning (CL), where continuous adaptation has to be performed as new task distributions are introduced sequentially. In this work, we showcase that where fine-tuning falls short to adapt such zero-shot capable models, simple momentum-based weight interpolation can provide consistent improvements for CL tasks in both memory-free and memory-based settings. In particular, we find improvements of over $+4\%$ on standard CL benchmarks, while reducing the error to the upper limit of jointly training on all tasks at once in parts by more than half, allowing the continual learner to inch closer to the joint training limits.

Preconditioning has long been a staple technique in optimization, often applied to reduce the condition number of a matrix and speed up the convergence of algorithms. Although there are many popular preconditioning techniques in practice, most lack guarantees on reductions in condition number. Moreover, the degree to which we can improve over existing heuristic preconditioners remains an important practical question. In this paper, we study the problem of optimal diagonal preconditioning that achieves maximal reduction in the condition number of any full-rank matrix by scaling its rows and/or columns. We first reformulate the problem as a quasi-convex problem and provide a simple algorithm based on bisection. Then we develop an interior point algorithm with $O(\log(1/\epsilon))$ iteration complexity, where each iteration consists of a Newton update based on the Nesterov-Todd direction. Next, we specialize to one-sided optimal diagonal preconditioning problems, and demonstrate that they can be formulated as standard dual SDP problems. We then develop efficient customized solvers and study the empirical performance of our optimal diagonal preconditioning procedures through extensive experiments on large matrices. Our findings suggest that optimal diagonal preconditioners can significantly improve upon existing heuristics-based diagonal preconditioners at reducing condition numbers and speeding up iterative methods. Moreover, our implementation of customized solvers, combined with a random row/column sampling step, can find near-optimal diagonal preconditioners for matrices up to size 200,000 in reasonable time, demonstrating their practical appeal.

Post-processing ensemble prediction systems can improve the reliability of weather forecasting, especially for extreme event prediction. In recent years, different machine learning models have been developed to improve the quality of weather post-processing. However, these models require a comprehensive dataset of weather simulations to produce high-accuracy results, which comes at a high computational cost to generate. This paper introduces the ENS-10 dataset, consisting of ten ensemble members spanning 20 years (1998-2017). The ensemble members are generated by perturbing numerical weather simulations to capture the chaotic behavior of the Earth. To represent the three-dimensional state of the atmosphere, ENS-10 provides the most relevant atmospheric variables at 11 distinct pressure levels and the surface at 0.5-degree resolution for forecast lead times T=0, 24, and 48 hours (two data points per week). We propose the ENS-10 prediction correction task for improving the forecast quality at a 48-hour lead time through ensemble post-processing. We provide a set of baselines and compare their skill at correcting the predictions of three important atmospheric variables. Moreover, we measure the baselines' skill at improving predictions of extreme weather events using our dataset. The ENS-10 dataset is available under the Creative Commons Attribution 4.0 International (CC BY 4.0) license.

The US federal government spends more than a trillion dollars per year on health care, largely provided by private third parties and reimbursed by the government. A major concern in this system is overbilling, waste and fraud by providers, who face incentives to misreport on their claims in order to receive higher payments. In this paper, we develop novel machine learning tools to identify providers that overbill Medicare, the US federal health insurance program for elderly adults and the disabled. Using large-scale Medicare claims data, we identify patterns consistent with fraud or overbilling among inpatient hospitalizations. Our proposed approach for Medicare fraud detection is fully unsupervised, not relying on any labeled training data, and is explainable to end users, providing reasoning and interpretable insights into the potentially suspicious behavior of the flagged providers. Data from the Department of Justice on providers facing anti-fraud lawsuits and several case studies validate our approach and findings both quantitatively and qualitatively.

Transformer structure, stacked by a sequence of encoder and decoder network layers, achieves significant development in neural machine translation. However, vanilla Transformer mainly exploits the top-layer representation, assuming the lower layers provide trivial or redundant information and thus ignoring the bottom-layer feature that is potentially valuable. In this work, we propose the Group-Transformer model (GTrans) that flexibly divides multi-layer representations of both encoder and decoder into different groups and then fuses these group features to generate target words. To corroborate the effectiveness of the proposed method, extensive experiments and analytic experiments are conducted on three bilingual translation benchmarks and two multilingual translation tasks, including the IWLST-14, IWLST-17, LDC, WMT-14 and OPUS-100 benchmark. Experimental and analytical results demonstrate that our model outperforms its Transformer counterparts by a consistent gain. Furthermore, it can be successfully scaled up to 60 encoder layers and 36 decoder layers.

We consider the problem of robustly testing the norm of a high-dimensional sparse signal vector under two different observation models. In the first model, we are given $n$ i.i.d. samples from the distribution $\mathcal{N}\left(\theta,I_d\right)$ (with unknown $\theta$), of which a small fraction has been arbitrarily corrupted. Under the promise that $\|\theta\|_0\le s$, we want to correctly distinguish whether $\|\theta\|_2=0$ or $\|\theta\|_2>\gamma$, for some input parameter $\gamma>0$. We show that any algorithm for this task requires $n=\Omega\left(s\log\frac{ed}{s}\right)$ samples, which is tight up to logarithmic factors. We also extend our results to other common notions of sparsity, namely, $\|\theta\|_q\le s$ for any $0 < q < 2$. In the second observation model that we consider, the data is generated according to a sparse linear regression model, where the covariates are i.i.d. Gaussian and the regression coefficient (signal) is known to be $s$-sparse. Here too we assume that an $\epsilon$-fraction of the data is arbitrarily corrupted. We show that any algorithm that reliably tests the norm of the regression coefficient requires at least $n=\Omega\left(\min(s\log d,{1}/{\gamma^4})\right)$ samples. Our results show that the complexity of testing in these two settings significantly increases under robustness constraints. This is in line with the recent observations made in robust mean testing and robust covariance testing.

The increasing size of data generated by smartphones and IoT devices motivated the development of Federated Learning (FL), a framework for on-device collaborative training of machine learning models. First efforts in FL focused on learning a single global model with good average performance across clients, but the global model may be arbitrarily bad for a given client, due to the inherent heterogeneity of local data distributions. Federated multi-task learning (MTL) approaches can learn personalized models by formulating an opportune penalized optimization problem. The penalization term can capture complex relations among personalized models, but eschews clear statistical assumptions about local data distributions. In this work, we propose to study federated MTL under the flexible assumption that each local data distribution is a mixture of unknown underlying distributions. This assumption encompasses most of the existing personalized FL approaches and leads to federated EM-like algorithms for both client-server and fully decentralized settings. Moreover, it provides a principled way to serve personalized models to clients not seen at training time. The algorithms' convergence is analyzed through a novel federated surrogate optimization framework, which can be of general interest. Experimental results on FL benchmarks show that our approach provides models with higher accuracy and fairness than state-of-the-art methods.

Under climate change, the increasing frequency, intensity, and spatial extent of drought events lead to higher socio-economic costs. However, the relationships between the hydro-meteorological indicators and drought impacts are not identified well yet because of the complexity and data scarcity. In this paper, we proposed a framework based on the extreme gradient model (XGBoost) for Texas to predict multi-category drought impacts and connected a typical drought indicator, Standardized Precipitation Index (SPI), to the text-based impacts from the Drought Impact Reporter (DIR). The preliminary results of this study showed an outstanding performance of the well-trained models to assess drought impacts on agriculture, fire, society & public health, plants & wildlife, as well as relief, response & restrictions in Texas. It also provided a possibility to appraise drought impacts using hydro-meteorological indicators with the proposed framework in the United States, which could help drought risk management by giving additional information and improving the updating frequency of drought impacts. Our interpretation results using the Shapley additive explanation (SHAP) interpretability technique revealed that the rules guiding the predictions of XGBoost comply with domain expertise knowledge around the role that SPI indicators play around drought impacts.

In this paper, we increase the availability and integration of devices in the learning process to enhance the convergence of federated learning (FL) models. To address the issue of having all the data in one location, federated learning, which maintains the ability to learn over decentralized data sets, combines privacy and technology. Until the model converges, the server combines the updated weights obtained from each dataset over a number of rounds. The majority of the literature suggested client selection techniques to accelerate convergence and boost accuracy. However, none of the existing proposals have focused on the flexibility to deploy and select clients as needed, wherever and whenever that may be. Due to the extremely dynamic surroundings, some devices are actually not available to serve as clients in FL, which affects the availability of data for learning and the applicability of the existing solution for client selection. In this paper, we address the aforementioned limitations by introducing an On-Demand-FL, a client deployment approach for FL, offering more volume and heterogeneity of data in the learning process. We make use of the containerization technology such as Docker to build efficient environments using IoT and mobile devices serving as volunteers. Furthermore, Kubernetes is used for orchestration. The Genetic algorithm (GA) is used to solve the multi-objective optimization problem due to its evolutionary strategy. The performed experiments using the Mobile Data Challenge (MDC) dataset and the Localfed framework illustrate the relevance of the proposed approach and the efficiency of the on-the-fly deployment of clients whenever and wherever needed with less discarded rounds and more available data.

We show two average-reward off-policy control algorithms, Differential Q-learning (Wan, Naik, & Sutton 2021a) and RVI Q-learning (Abounadi Bertsekas & Borkar 2001), converge in weakly communicating MDPs. Weakly communicating MDPs are the most general MDPs that can be solved by a learning algorithm with a single stream of experience. The original convergence proofs of the two algorithms require that the solution set of the average-reward optimality equation only has one degree of freedom, which is not necessarily true for weakly communicating MDPs. To the best of our knowledge, our results are the first showing average-reward off-policy control algorithms converge in weakly communicating MDPs. As a direct extension, we show that average-reward options algorithms for temporal abstraction introduced by Wan, Naik, & Sutton (2021b) converge if the Semi-MDP induced by options is weakly communicating.

Bayesian Inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is challenging and requires restrictive approximations. Monte Carlo Dropout has been widely used as a relatively cheap way for approximate Inference and to estimate uncertainty with deep neural networks. Traditionally, the dropout mask is sampled independently from a fixed distribution. Recent works show that the dropout mask can be viewed as a latent variable, which can be inferred with variational inference. These methods face two important challenges: (a) the posterior distribution over masks can be highly multi-modal which can be difficult to approximate with standard variational inference and (b) it is not trivial to fully utilize sample-dependent information and correlation among dropout masks to improve posterior estimation. In this work, we propose GFlowOut to address these issues. GFlowOut leverages the recently proposed probabilistic framework of Generative Flow Networks (GFlowNets) to learn the posterior distribution over dropout masks. We empirically demonstrate that GFlowOut results in predictive distributions that generalize better to out-of-distribution data, and provide uncertainty estimates which lead to better performance in downstream tasks.

The intersection of causal inference and machine learning for decision-making is rapidly expanding, but the default decision criterion remains an \textit{average} of individual causal outcomes across a population. In practice, various operational restrictions ensure that a decision-maker's utility is not realized as an \textit{average} but rather as an \textit{output} of a downstream decision-making problem (such as matching, assignment, network flow, minimizing predictive risk). In this work, we develop a new framework for off-policy evaluation with \textit{policy-dependent} linear optimization responses: causal outcomes introduce stochasticity in objective function coefficients. Under this framework, a decision-maker's utility depends on the policy-dependent optimization, which introduces a fundamental challenge of \textit{optimization} bias even for the case of policy evaluation. We construct unbiased estimators for the policy-dependent estimand by a perturbation method, and discuss asymptotic variance properties for a set of adjusted plug-in estimators. Lastly, attaining unbiased policy evaluation allows for policy optimization: we provide a general algorithm for optimizing causal interventions. We corroborate our theoretical results with numerical simulations.

Besides weights of synaptic connections, Forward propagation and Back propagation also include weights of synaptic ranges [15,16,19-22]. PNN considers synaptic strength balance in dynamic of phagocytosing of synapses and static of constant sum of synapses length [15],the lead behavior of the school of fish is well embodied in our PNN. Synapse formation will inhibit dendrites generation to a certain extent in experiments, by simulations synapse formation will inhibit the function of dendrites [16]. Closing the critical period will cause neurological disorder in experiments, but worse results in PNN simulations [19]. The memory persistence gradient information of backward circuit similar to the Enforcing Resilience in a Spring Boot. The relatively good and inferior gradient information in synapse formation of backward circuit like the folds of the brain. Considering both negative and positive memories persistence help activate synapse length changes with iterations better than only considering positive memory. So using memory of fear learning and improving of synaptic activity to observe obviously [20]. Memory persistence factor also inhibit local synaptic accumulation. And refers PNN can also introduce the relatively good and inferior solution to update the velocity of particle in PSO. Astrocytic phagocytosis will avoid the local accumulation of synapses by simulation (Lack of astrocytic phagocytosis causes excitatory synapses and functionally impaired synapses accumulate in experiments and lead to destruction of cognition, but local longer synapses and worse results in PNN simulations) [21]. It gives relationship of human intelligence and cortical thickness, individual differences in brain[22].The simple PNN which only has the synaptic phagocytosis regardless of the gradient update. Therefore, is it possible to simulate and plan the factors of biological experiments through modeling?

The class of bigraphical lasso algorithms (and, more broadly, 'tensor'-graphical lasso algorithms) has been used to estimate dependency structures within matrix and tensor data. However, all current methods to do so take prohibitively long on modestly sized datasets. We present a novel tensor-graphical lasso algorithm that analytically estimates the dependency structure, unlike its iterative predecessors. This provides a speedup of multiple orders of magnitude, allowing this class of algorithms to be used on large, real-world datasets.

In this paper, we place deep Q-learning into a control-oriented perspective and study its learning dynamics with well-established techniques from robust control. We formulate an uncertain linear time-invariant model by means of the neural tangent kernel to describe learning. We show the instability of learning and analyze the agent's behavior in frequency-domain. Then, we ensure convergence via robust controllers acting as dynamical rewards in the loss function. We synthesize three controllers: state-feedback gain scheduling H2, dynamic Hinf, and constant gain Hinf controllers. Setting up the learning agent with a control-oriented tuning methodology is more transparent and has well-established literature compared to the heuristics in reinforcement learning. In addition, our approach does not use a target network and randomized replay memory. The role of the target network is overtaken by the control input, which also exploits the temporal dependency of samples (opposed to a randomized memory buffer). Numerical simulations in different OpenAI Gym environments suggest that the Hinf controlled learning performs slightly better than Double deep Q-learning.

In this preliminary work, we study the generalization properties of infinite ensembles of infinitely-wide neural networks. Amazingly, this model family admits tractable calculations for many information-theoretic quantities. We report analytical and empirical investigations in the search for signals that correlate with generalization.

Neural networks trained with stochastic gradient descent (SGD) starting from different random initialisations typically find functionally very similar solutions, raising the question of whether there are meaningful differences between different SGD solutions. Entezari et al.\ recently conjectured that despite different initialisations, the solutions found by SGD lie in the same loss valley after taking into account the permutation invariance of neural networks. Concretely, they hypothesise that any two solutions found by SGD can be permuted such that the linear interpolation between their parameters forms a path without significant increases in loss. Here, we use a simple but powerful algorithm to find such permutations that allows us to obtain direct empirical evidence that the hypothesis is true in fully connected networks. Strikingly, we find that two networks already live in the same loss valley at the time of initialisation and averaging their random, but suitably permuted initialisation performs significantly above chance. In contrast, for convolutional architectures, our evidence suggests that the hypothesis does not hold. Especially in a large learning rate regime, SGD seems to discover diverse modes.

In high dimensional variable selection problems, statisticians often seek to design multiple testing procedures controlling the false discovery rate (FDR) and simultaneously discovering more relevant variables. Model-X methods, such as Knockoffs and conditional randomization tests, achieve the first goal of finite-sample FDR control under the assumption of known covariates distribution. However, it is not clear whether these methods can concurrently achieve the second goal of maximizing the number of discoveries. In fact, designing procedures to discover more relevant variables with finite-sample FDR control is a largely open question, even in the arguably simplest linear models. In this paper, we derive near-optimal testing procedures in high dimensional Bayesian linear models with isotropic covariates. We propose a Model-X multiple testing procedure, PoEdCe, which provably controls the frequentist FDR from finite samples even under model misspecification, and conjecturally achieves near-optimal power when the data follow the Bayesian linear model with a known prior. PoEdCe has three important ingredients: Posterior Expectation, distilled Conditional randomization test (dCRT), and the Benjamini-Hochberg procedure with e-values (eBH). The optimality conjecture of PoEdCe is based on a heuristic calculation of its asymptotic true positive proportion (TPP) and false discovery proportion (FDP), which is supported by methods from statistical physics as well as extensive numerical simulations. Furthermore, when the prior is unknown, we show that an empirical Bayes variant of PoEdCe still has finite-sample FDR control and achieves near-optimal power.

Recommender Systems (RSs) are operated locally by different organizations in many realistic scenarios. If various organizations can fully share their data and perform computation in a centralized manner, they may significantly improve the accuracy of recommendations. However, collaborations among multiple organizations in enhancing the performance of recommendations are primarily limited due to the difficulty of sharing data and models. To address this challenge, we propose Decentralized Multi-Target Cross-Domain Recommendation (DMTCDR) with Multi-Target Assisted Learning (MTAL) and Assisted AutoEncoder (AAE). Our method can help multiple organizations collaboratively improve their recommendation performance in a decentralized manner without sharing sensitive assets. Consequently, it allows decentralized organizations to collaborate and form a community of shared interest. We conduct extensive experiments to demonstrate that the new method can significantly outperform locally trained RSs and mitigate the cold start problem.

Influence Maximization (IM) is a classical combinatorial optimization problem, which can be widely used in mobile networks, social computing, and recommendation systems. It aims at selecting a small number of users such that maximizing the influence spread across the online social network. Because of its potential commercial and academic value, there are a lot of researchers focusing on studying the IM problem from different perspectives. The main challenge comes from the NP-hardness of the IM problem and \#P-hardness of estimating the influence spread, thus traditional algorithms for overcoming them can be categorized into two classes: heuristic algorithms and approximation algorithms. However, there is no theoretical guarantee for heuristic algorithms, and the theoretical design is close to the limit. Therefore, it is almost impossible to further optimize and improve their performance. With the rapid development of artificial intelligence, the technology based on Machine Learning (ML) has achieved remarkable achievements in many fields. In view of this, in recent years, a number of new methods have emerged to solve combinatorial optimization problems by using ML-based techniques. These methods have the advantages of fast solving speed and strong generalization ability to unknown graphs, which provide a brand-new direction for solving combinatorial optimization problems. Therefore, we abandon the traditional algorithms based on iterative search and review the recent development of ML-based methods, especially Deep Reinforcement Learning, to solve the IM problem and other variants in social networks. We focus on summarizing the relevant background knowledge, basic principles, common methods, and applied research. Finally, the challenges that need to be solved urgently in future IM research are pointed out.

Originally, tangles were invented as an abstract tool in mathematical graph theory to prove the famous graph minor theorem. In this paper, we showcase the practical potential of tangles in machine learning applications. Given a collection of cuts of any dataset, tangles aggregate these cuts to point in the direction of a dense structure. As a result, a cluster is softly characterized by a set of consistent pointers. This highly flexible approach can solve clustering problems in various setups, ranging from questionnaires over community detection in graphs to clustering points in metric spaces. The output of our proposed framework is hierarchical and induces the notion of a soft dendrogram, which can help explore the cluster structure of a dataset. The computational complexity of aggregating the cuts is linear in the number of data points. Thus the bottleneck of the tangle approach is to generate the cuts, for which simple and fast algorithms form a sufficient basis. In our paper we construct the algorithmic framework for clustering with tangles, prove theoretical guarantees in various settings, and provide extensive simulations and use cases. Python code is available on github.

Emotion Recognition in Conversations (ERC) is an important and active research area. Recent work has shown the benefits of using multiple modalities (e.g., text, audio, and video) for the ERC task. In a conversation, participants tend to maintain a particular emotional state unless some stimuli evokes a change. There is a continuous ebb and flow of emotions in a conversation. Inspired by this observation, we propose a multimodal ERC model and augment it with an emotion-shift component that improves performance. The proposed emotion-shift component is modular and can be added to any existing multimodal ERC model (with a few modifications). We experiment with different variants of the model, and results show that the inclusion of emotion shift signal helps the model to outperform existing models for ERC on MOSEI and IEMOCAP datasets.

EEG-based tinnitus classification is a valuable tool for tinnitus diagnosis, research, and treatments. Most current works are limited to a single dataset where data patterns are similar. But EEG signals are highly non-stationary, resulting in model's poor generalization to new users, sessions or datasets. Thus, designing a model that can generalize to new datasets is beneficial and indispensable. To mitigate distribution discrepancy across datasets, we propose to achieve Disentangled and Side-aware Unsupervised Domain Adaptation (DSUDA) for cross-dataset tinnitus diagnosis. A disentangled auto-encoder is developed to decouple class-irrelevant information from the EEG signals to improve the classifying ability. The side-aware unsupervised domain adaptation module adapts the class-irrelevant information as domain variance to a new dataset and excludes the variance to obtain the class-distill features for the new dataset classification. It also align signals of left and right ears to overcome inherent EEG pattern difference. We compare DSUDA with state-of-the-art methods, and our model achieves significant improvements over competitors regarding comprehensive evaluation criteria. The results demonstrate our model can successfully generalize to a new dataset and effectively diagnose tinnitus.

Variational quantum algorithms (VQAs) utilize a hybrid quantum-classical architecture to recast problems of high-dimensional linear algebra as ones of stochastic optimization. Despite the promise of leveraging near- to intermediate-term quantum resources to accelerate this task, the computational advantage of VQAs over wholly classical algorithms has not been firmly established. For instance, while the variational quantum eigensolver (VQE) has been developed to approximate low-lying eigenmodes of high-dimensional sparse linear operators, analogous classical optimization algorithms exist in the variational Monte Carlo (VMC) literature, utilizing neural networks in place of quantum circuits to represent quantum states. In this paper we ask if classical stochastic optimization algorithms can be constructed paralleling other VQAs, focusing on the example of the variational quantum linear solver (VQLS). We find that such a construction can be applied to the VQLS, yielding a paradigm that could theoretically extend to other VQAs of similar form.

Multitask learning assumes that models capable of learning from multiple tasks can achieve better quality and efficiency via knowledge transfer, a key feature of human learning. Though, state of the art ML models rely on high customization for each task and leverage size and data scale rather than scaling the number of tasks. Also, continual learning, that adds the temporal aspect to multitask, is often focused to the study of common pitfalls such as catastrophic forgetting instead of being studied at a large scale as a critical component to build the next generation artificial intelligence.We propose an evolutionary method capable of generating large scale multitask models that support the dynamic addition of new tasks. The generated multitask models are sparsely activated and integrates a task-based routing that guarantees bounded compute cost and fewer added parameters per task as the model expands.The proposed method relies on a knowledge compartmentalization technique to achieve immunity against catastrophic forgetting and other common pitfalls such as gradient interference and negative transfer. We demonstrate empirically that the proposed method can jointly solve and achieve competitive results on 69public image classification tasks, for example improving the state of the art on a competitive benchmark such as cifar10 by achieving a 15% relative error reduction compared to the best model trained on public data.

In continual learning (CL), the goal is to design models that can learn a sequence of tasks without catastrophic forgetting. While there is a rich set of techniques for CL, relatively little understanding exists on how representations built by previous tasks benefit new tasks that are added to the network. To address this, we study the problem of continual representation learning (CRL) where we learn an evolving representation as new tasks arrive. Focusing on zero-forgetting methods where tasks are embedded in subnetworks (e.g., PackNet), we first provide experiments demonstrating CRL can significantly boost sample efficiency when learning new tasks. To explain this, we establish theoretical guarantees for CRL by providing sample complexity and generalization error bounds for new tasks by formalizing the statistical benefits of previously-learned representations. Our analysis and experiments also highlight the importance of the order in which we learn the tasks. Specifically, we show that CL benefits if the initial tasks have large sample size and high "representation diversity". Diversity ensures that adding new tasks incurs small representation mismatch and can be learned with few samples while training only few additional nonzero weights. Finally, we ask whether one can ensure each task subnetwork to be efficient during inference time while retaining the benefits of representation learning. To this end, we propose an inference-efficient variation of PackNet called Efficient Sparse PackNet (ESPN) which employs joint channel & weight pruning. ESPN embeds tasks in channel-sparse subnets requiring up to 80% less FLOPs to compute while approximately retaining accuracy and is very competitive with a variety of baselines. In summary, this work takes a step towards data and compute-efficient CL with a representation learning perspective. GitHub page: https://github.com/ucr-optml/CtRL

List-mode positron emission tomography (PET) image reconstruction is an important tool for PET scanners with many lines-of-response and additional information such as time-of-flight and depth-of-interaction. Deep learning is one possible solution to enhance the quality of PET image reconstruction. However, the application of deep learning techniques to list-mode PET image reconstruction has not been progressed because list data is a sequence of bit codes and unsuitable for processing by convolutional neural networks (CNN). In this study, we propose a novel list-mode PET image reconstruction method using an unsupervised CNN called deep image prior (DIP) which is the first trial to integrate list-mode PET image reconstruction and CNN. The proposed list-mode DIP reconstruction (LM-DIPRecon) method alternatively iterates the regularized list-mode dynamic row action maximum likelihood algorithm (LM-DRAMA) and magnetic resonance imaging conditioned DIP (MR-DIP) using an alternating direction method of multipliers. We evaluated LM-DIPRecon using both simulation and clinical data, and it achieved sharper images and better tradeoff curves between contrast and noise than the LM-DRAMA, MR-DIP and sinogram-based DIPRecon methods. These results indicated that the LM-DIPRecon is useful for quantitative PET imaging with limited events while keeping accurate raw data information. In addition, as list data has finer temporal information than dynamic sinograms, list-mode deep image prior reconstruction is expected to be useful for 4D PET imaging and motion correction.

The ML community recognizes the importance of anticipating and mitigating the potential negative impacts of benchmark research. In this position paper, we argue that more attention must be paid to areas of ethical risk at the technical and scientific core of ML benchmarks. We identify overlooked structural similarities between human IQ and ML benchmarks. These share similarities in setting standards for describing, evaluating, and comparing performance on tasks relevant to intelligence. Drawing on prior research on IQ benchmarks from feminist philosophy of science, we argue that values need to be considered when creating ML benchmarks and datasets, and that it is not possible to avoid this choice by creating benchmarks that are value-neutral. Finally, we outline practical recommendations for benchmark research ethics and ethics review.

Feature selection is an important and active field of research in machine learning and data science. Our goal in this paper is to propose a collection of synthetic datasets that can be used as a common reference point for feature selection algorithms. Synthetic datasets allow for precise evaluation of selected features and control of the data parameters for comprehensive assessment. The proposed datasets are based on applications from electronics in order to mimic real life scenarios. To illustrate the utility of the proposed data we employ one of the datasets to test several popular feature selection algorithms. The datasets are made publicly available on GitHub and can be used by researchers to evaluate feature selection algorithms.

In this paper, we propose XG-BoT, an explainable deep graph neural network model for botnet node detection. The proposed model is mainly composed of a botnet detector and an explainer for automatic forensics. The XG-BoT detector can effectively detect malicious botnet nodes under large-scale networks. Specifically, it utilizes a grouped reversible residual connection with a graph isomorphism network to learn expressive node representations from the botnet communication graphs. The explainer in XG-BoT can perform automatic network forensics by highlighting suspicious network flows and related botnet nodes. We evaluated XG-BoT based on real-world, large-scale botnet network graph datasets. Overall, XG-BoT is able to outperform the state-of-the-art in terms of key evaluation metrics. In addition, we show that the XG-BoT explainer can generate useful explanations based on GNNExplainer and saliency map for automatic network forensics.

Lipschitz regularized f-divergences are constructed by imposing a bound on the Lipschitz constant of the discriminator in the variational representation. They interpolate between the Wasserstein metric and f-divergences and provide a flexible family of loss functions for non-absolutely continuous (e.g. empirical) distributions, possibly with heavy tails. We construct Lipschitz regularized gradient flows on the space of probability measures based on these divergences. Examples of such gradient flows are Lipschitz regularized Fokker-Planck and porous medium partial differential equations (PDEs) for the Kullback-Leibler and alpha-divergences, respectively. The regularization corresponds to imposing a Courant-Friedrichs-Lewy numerical stability condition on the PDEs. For empirical measures, the Lipschitz regularization on gradient flows induces a numerically stable transporter/discriminator particle algorithm, where the generative particles are transported along the gradient of the discriminator. The gradient structure leads to a regularized Fisher information (particle kinetic energy) used to track the convergence of the algorithm. The Lipschitz regularized discriminator can be implemented via neural network spectral normalization and the particle algorithm generates approximate samples from possibly high-dimensional distributions known only from data. Notably, our particle algorithm can generate synthetic data even in small sample size regimes. A new data processing inequality for the regularized divergence allows us to combine our particle algorithm with representation learning, e.g. autoencoder architectures. The resulting algorithm yields markedly improved generative properties in terms of efficiency and quality of the synthetic samples. From a statistical mechanics perspective the encoding can be interpreted dynamically as learning a better mobility for the generative particles.

Many modern computer vision algorithms suffer from two major bottlenecks: scarcity of data and learning new tasks incrementally. While training the model with new batches of data the model looses it's ability to classify the previous data judiciously which is termed as catastrophic forgetting. Conventional methods have tried to mitigate catastrophic forgetting of the previously learned data while the training at the current session has been compromised. The state-of-the-art generative replay based approaches use complicated structures such as generative adversarial network (GAN) to deal with catastrophic forgetting. Additionally, training a GAN with few samples may lead to instability. In this work, we present a novel method to deal with these two major hurdles. Our method identifies a better embedding space with an improved contrasting loss to make classification more robust. Moreover, our approach is able to retain previously acquired knowledge in the embedding space even when trained with new classes. We update previous session class prototypes while training in such a way that it is able to represent the true class mean. This is of prime importance as our classification rule is based on the nearest class mean classification strategy. We have demonstrated our results by showing that the embedding space remains intact after training the model with new classes. We showed that our method preformed better than the existing state-of-the-art algorithms in terms of accuracy across different sessions.

Autoencoders are widely used in outlier detection due to their superiority in handling high-dimensional and nonlinear datasets. The reconstruction of any dataset by the autoencoder can be considered as a complex regression process. In regression analysis, outliers can usually be divided into high leverage points and influential points. Although the autoencoder has shown good results for the identification of influential points, there are still some problems when detect high leverage points. Through theoretical derivation, we found that most outliers are detected in the direction corresponding to the worst-recovered principal component, but in the direction of the well-recovered principal components, the anomalies are often ignored. We propose a new loss function which solve the above deficiencies in outlier detection. The core idea of our scheme is that in order to better detect high leverage points, we should suppress the complete reconstruction of the dataset to convert high leverage points into influential points, and it is also necessary to ensure that the differences between the eigenvalues of the covariance matrix of the original dataset and their corresponding reconstructed results in the direction of each principal component are equal. Besides, we explain the rationality of our scheme through rigorous theoretical derivation. Finally, our experiments on multiple datasets confirm that our scheme significantly improves the accuracy of outlier detection.

Predicting discrete events in time and space has many scientific applications, such as predicting hazardous earthquakes and outbreaks of infectious diseases. History-dependent spatio-temporal Hawkes processes are often used to mathematically model these point events. However, previous approaches have faced numerous challenges, particularly when attempting to forecast one or multiple future events. In this work, we propose a new neural architecture for multi-event forecasting of spatio-temporal point processes, utilizing transformers, augmented with normalizing flows and probabilistic layers. Our network makes batched predictions of complex history-dependent spatio-temporal distributions of future discrete events, achieving state-of-the-art performance on a variety of benchmark datasets including the South California Earthquakes, Citibike, Covid-19, and Hawkes synthetic pinwheel datasets. More generally, we illustrate how our network can be applied to any dataset of discrete events with associated markers, even when no underlying physics is known.

We propose a novel theoretical framework of analysis for Generative Adversarial Networks (GANs). We reveal a fundamental flaw of previous analyses which, by incorrectly modeling GANs' training scheme, are subject to ill-defined discriminator gradients. We overcome this issue which impedes a principled study of GAN training, solving it within our framework by taking into account the discriminator's architecture. To this end, we leverage the theory of infinite-width neural networks for the discriminator via its Neural Tangent Kernel. We characterize the trained discriminator for a wide range of losses and establish general differentiability properties of the network. From this, we derive new insights about the convergence of the generated distribution, advancing our understanding of GANs' training dynamics. We empirically corroborate these results via an analysis toolkit based on our framework, unveiling intuitions that are consistent with GAN practice.

The traditional Machine Learning (ML) methodology requires to fragment the development and experimental process into disconnected iterations whose feedback is used to guide design or tuning choices. This methodology has multiple efficiency and scalability disadvantages, such as leading to spend significant resources into the creation of multiple trial models that do not contribute to the final solution.The presented work is based on the intuition that defining ML models as modular and extensible artefacts allows to introduce a novel ML development methodology enabling the integration of multiple design and evaluation iterations into the continuous enrichment of a single unbounded intelligent system. We define a novel method for the generation of dynamic multitask ML models as a sequence of extensions and generalizations. We first analyze the capabilities of the proposed method by using the standard ML empirical evaluation methodology. Finally, we propose a novel continuous development methodology that allows to dynamically extend a pre-existing multitask large-scale ML system while analyzing the properties of the proposed method extensions. This results in the generation of an ML model capable of jointly solving 124 image classification tasks achieving state of the art quality with improved size and compute cost.

Recent years have seen adversarial losses been applied to many fields. Their applications extend beyond the originally proposed generative modeling to conditional generative and discriminative settings. While prior work has proposed various output activation functions and regularization approaches, some open questions still remain unanswered. In this paper, we aim to study the following two research questions: 1) What types of output activation functions form a well-behaved adversarial loss? 2) How different combinations of output activation functions and regularization approaches perform empirically against one another? To answer the first question, we adopt the perspective of variational divergence minimization and consider an adversarial loss well-behaved if it behaves as a divergence-like measure between the data and model distributions. Using a generalized formulation for adversarial losses, we derive the necessary and sufficient conditions of a well-behaved adversarial loss. Our analysis reveals a large class of theoretically valid adversarial losses. For the second question, we propose a simple comparative framework for adversarial losses using discriminative adversarial networks. The proposed framework allows us to efficiently evaluate adversarial losses using a standard evaluation metric such as the classification accuracy. With the proposed framework, we evaluate a comprehensive set of 168 combinations of twelve output activation functions and fourteen regularization approaches on the handwritten digit classification problem to decouple their effects. Our empirical findings suggest that there is no single winning combination of output activation functions and regularization approaches across all settings. Our theoretical and empirical results may together serve as a reference for choosing or designing adversarial losses in future research.

Deliberation networks are a family of sequence-to-sequence models, which have achieved state-of-the-art performance in a wide range of tasks such as machine translation and speech synthesis. A deliberation network consists of multiple standard sequence-to-sequence models, each one conditioned on the initial input and the output of the previous model. During training, there are several key questions: whether to apply Monte Carlo approximation to the gradients or the loss, whether to train the standard models jointly or separately, whether to run an intermediate model in teacher forcing or free running mode, whether to apply task-specific techniques. Previous work on deliberation networks typically explores one or two training options for a specific task. This work introduces a unifying framework, covering various training options, and addresses the above questions. In general, it is simpler to approximate the gradients. When parallel training is essential, separate training should be adopted. Regardless of the task, the intermediate model should be in free running mode. For tasks where the output is continuous, a guided attention loss can be used to prevent degradation into a standard model.

PV power forecasting models are predominantly based on machine learning algorithms which do not provide any insight into or explanation about their predictions (black boxes). Therefore, their direct implementation in environments where transparency is required, and the trust associated with their predictions may be questioned. To this end, we propose a two stage probabilistic forecasting framework able to generate highly accurate, reliable, and sharp forecasts yet offering full transparency on both the point forecasts and the prediction intervals (PIs). In the first stage, we exploit natural gradient boosting (NGBoost) for yielding probabilistic forecasts, while in the second stage, we calculate the Shapley additive explanation (SHAP) values in order to fully comprehend why a prediction was made. To highlight the performance and the applicability of the proposed framework, real data from two PV parks located in Southern Germany are employed. Comparative results with two state-of-the-art algorithms, namely Gaussian process and lower upper bound estimation, manifest a significant increase in the point forecast accuracy and in the overall probabilistic performance. Most importantly, a detailed analysis of the model's complex nonlinear relationships and interaction effects between the various features is presented. This allows interpreting the model, identifying some learned physical properties, explaining individual predictions, reducing the computational requirements for the training without jeopardizing the model accuracy, detecting possible bugs, and gaining trust in the model. Finally, we conclude that the model was able to develop complex nonlinear relationships which follow known physical properties as well as human logic and intuition.

Calibration is defined as the ratio of the average predicted click rate to the true click rate. The optimization of calibration is essential to many online advertising recommendation systems because it directly affects the downstream bids in ads auctions and the amount of money charged to advertisers. Despite its importance, calibration optimization often suffers from a problem called "maximization bias". Maximization bias refers to the phenomenon that the maximum of predicted values overestimates the true maximum. The problem is introduced because the calibration is computed on the set selected by the prediction model itself. It persists even if unbiased predictions can be achieved on every datapoint and worsens when covariate shifts exist between the training and test sets. To mitigate this problem, we theorize the quantification of maximization bias and propose a variance-adjusting debiasing (VAD) meta-algorithm in this paper. The algorithm is efficient, robust, and practical as it is able to mitigate maximization bias problems under covariate shifts, neither incurring additional online serving costs nor compromising the ranking performance. We demonstrate the effectiveness of the proposed algorithm using a state-of-the-art recommendation neural network model on a large-scale real-world dataset.

To fight climate change and accommodate the increasing population, global crop production has to be strengthened. To achieve the "sustainable intensification" of agriculture, transforming it from carbon emitter to carbon sink is a priority, and understanding the environmental impact of agricultural management practices is a fundamental prerequisite to that. At the same time, the global agricultural landscape is deeply heterogeneous, with differences in climate, soil, and land use inducing variations in how agricultural systems respond to farmer actions. The "personalization" of sustainable agriculture with the provision of locally adapted management advice is thus a necessary condition for the efficient uplift of green metrics, and an integral development in imminent policies. Here, we formulate personalized sustainable agriculture as a Conditional Average Treatment Effect estimation task and use Causal Machine Learning for tackling it. Leveraging climate data, land use information and employing Double Machine Learning, we estimate the heterogeneous effect of sustainable practices on the field-level Soil Organic Carbon content in Lithuania. We thus provide a data-driven perspective for targeting sustainable practices and effectively expanding the global carbon sink.

Data-driven identification of differential equations is an interesting but challenging problem, especially when the given data are corrupted by noise. When the governing differential equation is a linear combination of various differential terms, the identification problem can be formulated as solving a linear system, with the feature matrix consisting of linear and nonlinear terms multiplied by a coefficient vector. This product is equal to the time derivative term, and thus generates dynamical behaviors. The goal is to identify the correct terms that form the equation to capture the dynamics of the given data. We propose a general and robust framework to recover differential equations using a weak formulation, for both ordinary and partial differential equations (ODEs and PDEs). The weak formulation facilitates an efficient and robust way to handle noise. For a robust recovery against noise and the choice of hyper-parameters, we introduce two new mechanisms, narrow-fit and trimming, for the coefficient support and value recovery, respectively. For each sparsity level, Subspace Pursuit is utilized to find an initial set of support from the large dictionary. Then, we focus on highly dynamic regions (rows of the feature matrix), and error normalize the feature matrix in the narrow-fit step. The support is further updated via trimming of the terms that contribute the least. Finally, the support set of features with the smallest Cross-Validation error is chosen as the result. A comprehensive set of numerical experiments are presented for both systems of ODEs and PDEs with various noise levels. The proposed method gives a robust recovery of the coefficients, and a significant denoising effect which can handle up to $100\%$ noise-to-signal ratio for some equations. We compare the proposed method with several state-of-the-art algorithms for the recovery of differential equations.

Reliable and robust user identification and authentication are important and often necessary requirements for many digital services. It becomes paramount in social virtual reality (VR) to ensure trust, specifically in digital encounters with lifelike realistic-looking avatars as faithful replications of real persons. Recent research has shown that the movements of users in extended reality (XR) systems carry user-specific information and can thus be used to verify their identities. This article compares three different potential encodings of the motion data from head and hands (scene-relative, body-relative, and body-relative velocities), and the performances of five different machine learning architectures (random forest, multi-layer perceptron, fully recurrent neural network, long-short term memory, gated recurrent unit). We use the publicly available dataset "Talking with Hands" and publish all code to allow reproducibility and to provide baselines for future work. After hyperparameter optimization, the combination of a long-short term memory architecture and body-relative data outperformed competing combinations: the model correctly identifies any of the 34 subjects with an accuracy of 100% within 150 seconds. Altogether, our approach provides an effective foundation for behaviometric-based identification and authentication to guide researchers and practitioners. Data and code are published under https://go.uniwue.de/58w1r.

We develop the theory and algorithmic toolbox for networked federated learning in decentralized collections of local datasets with an intrinsic network structure. This network structure arises from domain-specific notions of similarity between local datasets. Different notions of similarity are induced by spatio-temporal proximity, statistical dependencies or functional relations. Our main conceptual contribution is to formulate networked federated learning using a generalized total variation minimization. This formulation unifies and considerably extends existing federated multi-task learning methods. It is highly flexible and can be combined with a broad range of parametric models including Lasso or deep neural networks. Our main algorithmic contribution is a novel networked federated learning algorithm which is well suited for distributed computing environments such as edge computing over wireless networks. This algorithm is robust against inexact computations arising from limited computational resources including processing time or bandwidth. For local models resulting in convex problems, we derive precise conditions on the local models and their network structure such that our algorithm learns nearly optimal local models. Our analysis reveals an interesting interplay between the convex geometry of local models and the (cluster-) geometry of their network structure.

Neural approaches for combinatorial optimization (CO) equip a learning mechanism to discover powerful heuristics for solving complex real-world problems. While neural approaches capable of high-quality solutions in a single shot are emerging, state-of-the-art approaches are often unable to take full advantage of the solving time available to them. In contrast, hand-crafted heuristics perform highly effective search well and exploit the computation time given to them, but contain heuristics that are difficult to adapt to a dataset being solved. With the goal of providing a powerful search procedure to neural CO approaches, we propose simulation-guided beam search (SGBS), which examines candidate solutions within a fixed-width tree search that both a neural net-learned policy and a simulation (rollout) identify as promising. We further hybridize SGBS with efficient active search (EAS), where SGBS enhances the quality of solutions backpropagated in EAS, and EAS improves the quality of the policy used in SGBS. We evaluate our methods on well-known CO benchmarks and show that SGBS significantly improves the quality of the solutions found under reasonable runtime assumptions.

Tuberculosis (TB), an infectious bacterial disease, is a significant cause of death, especially in low-income countries, with an estimated ten million new cases reported globally in $2020$. While TB is treatable, non-adherence to the medication regimen is a significant cause of morbidity and mortality. Thus, proactively identifying patients at risk of dropping off their medication regimen enables corrective measures to mitigate adverse outcomes. Using a proxy measure of extreme non-adherence and a dataset of nearly $700,000$ patients from four states in India, we formulate and solve the machine learning (ML) problem of early prediction of non-adherence based on a custom rank-based metric. We train ML models and evaluate against baselines, achieving a $\sim 100\%$ lift over rule-based baselines and $\sim 214\%$ over a random classifier, taking into account country-wide large-scale future deployment. We deal with various issues in the process, including data quality, high-cardinality categorical data, low target prevalence, distribution shift, variation across cohorts, algorithmic fairness, and the need for robustness and explainability. Our findings indicate that risk stratification of non-adherent patients is a viable, deployable-at-scale ML solution.

In contrast to the rapid digitalization of several industries, agriculture suffers from low adoption of climate-smart farming tools. Even though AI-driven digital agriculture can offer high-performing predictive functionalities, it lacks tangible quantitative evidence on its benefits to the farmers. Field experiments can derive such evidence, but are often costly and time consuming. To this end, we propose an observational causal inference framework for the empirical evaluation of the impact of digital tools on target farm performance indicators. This way, we can increase farmers' trust by enhancing the transparency of the digital agriculture market, and in turn accelerate the adoption of technologies that aim to increase productivity and secure a sustainable and resilient agriculture against a changing climate. As a case study, we perform an empirical evaluation of a recommendation system for optimal cotton sowing, which was used by a farmers' cooperative during the growing season of 2021. We leverage agricultural knowledge to develop a causal graph of the farm system, we use the back-door criterion to identify the impact of recommendations on the yield and subsequently estimate it using several methods on observational data. The results show that a field sown according to our recommendations enjoyed a significant increase in yield (12% to 17%).

Consider a finite sample from an unknown distribution over a countable alphabet. Unobserved events are alphabet symbols which do not appear in the sample. Estimating the probabilities of unobserved events is a basic problem in statistics and related fields, which was extensively studied in the context of point estimation. In this work we introduce a novel interval estimation scheme for unobserved events. Our proposed framework applies selective inference, as we construct confidence intervals (CIs) for the desired set of parameters. Interestingly, we show that obtained CIs are dimension-free, as they do not grow with the alphabet size. Further, we show that these CIs are (almost) tight, in the sense that they cannot be further improved without violating the prescribed coverage rate. We demonstrate the performance of our proposed scheme in synthetic and real-world experiments, showing a significant improvement over the alternatives. Finally, we apply our proposed scheme to large alphabet modeling. We introduce a novel simultaneous CI scheme for large alphabet distributions which outperforms currently known methods while maintaining the prescribed coverage rate.

Strong gravitational lensing has emerged as a promising approach for probing dark matter models on sub-galactic scales. Recent work has proposed the subhalo effective density slope as a more reliable observable than the commonly used subhalo mass function. The subhalo effective density slope is a measurement independent of assumptions about the underlying density profile and can be inferred for individual subhalos through traditional sampling methods. To go beyond individual subhalo measurements, we leverage recent advances in machine learning and introduce a neural likelihood-ratio estimator to infer an effective density slope for populations of subhalos. We demonstrate that our method is capable of harnessing the statistical power of multiple subhalos (within and across multiple images) to distinguish between characteristics of different subhalo populations. The computational efficiency warranted by the neural likelihood-ratio estimator over traditional sampling enables statistical studies of dark matter perturbers and is particularly useful as we expect an influx of strong lensing systems from upcoming surveys.

Deep learning-based pose estimation algorithms can successfully estimate the pose of objects in an image, especially in the field of color images. 6D Object pose estimation based on deep learning models for X-ray images often use custom architectures that employ extensive CAD models and simulated data for training purposes. Recent RGB-based methods opt to solve pose estimation problems using small datasets, making them more attractive for the X-ray domain where medical data is scarcely available. We refine an existing RGB-based model (SingleShotPose) to estimate the 6D pose of a marked cube from grayscale X-ray images by creating a generic solution trained on only real X-ray data and adjusted for X-ray acquisition geometry. The model regresses 2D control points and calculates the pose through 2D/3D correspondences using Perspective-n-Point(PnP), allowing a single trained model to be used across all supporting cone-beam-based X-ray geometries. Since modern X-ray systems continuously adjust acquisition parameters during a procedure, it is essential for such a pose estimation network to consider these parameters in order to be deployed successfully and find a real use case. With a 5-cm/5-degree accuracy of 93% and an average 3D rotation error of 2.2 degrees, the results of the proposed approach are comparable with state-of-the-art alternatives, while requiring significantly less real training examples and being applicable in real-time applications.

The pattern of pedestrian crashes varies greatly depending on lighting circumstances, emphasizing the need of examining pedestrian crashes in various lighting conditions. Using Louisiana pedestrian fatal and injury crash data (2010-2019), this study applied Association Rules Mining (ARM) to identify the hidden pattern of crash risk factors according to three different lighting conditions (daylight, dark-with-streetlight, and dark-no-streetlight). Based on the generated rules, the results show that daylight pedestrian crashes are associated with children (less than 15 years), senior pedestrians (greater than 64 years), older drivers (>64 years), and other driving behaviors such as failure to yield, inattentive/distracted, illness/fatigue/asleep. Additionally, young drivers (15-24 years) are involved in severe pedestrian crashes in daylight conditions. This study also found pedestrian alcohol/drug involvement as the most frequent item in the dark-with-streetlight condition. This crash type is particularly associated with pedestrian action (crossing intersection/midblock), driver age (55-64 years), speed limit (30-35 mph), and specific area type (business with mixed residential area). Fatal pedestrian crashes are found to be associated with roadways with high-speed limits (>50 mph) during the dark without streetlight condition. Some other risk factors linked with high-speed limit related crashes are pedestrians walking with/against the traffic, presence of pedestrian dark clothing, pedestrian alcohol/drug involvement. The research findings are expected to provide an improved understanding of the underlying relationships between pedestrian crash risk factors and specific lighting conditions. Highway safety experts can utilize these findings to conduct a decision-making process for selecting effective countermeasures to reduce pedestrian crashes strategically.

We reformulate unsupervised dimension reduction problem (UDR) in the language of tempered distributions, i.e. as a problem of approximating an empirical probability density function by another tempered distribution, supported in a $k$-dimensional subspace. We show that this task is connected with another classical problem of data science -- the sufficient dimension reduction problem (SDR). In fact, an algorithm for the first problem induces an algorithm for the second and vice versa. In order to reduce an optimization problem over distributions to an optimization problem over ordinary functions we introduce a nonnegative penalty function that ``forces'' the support of the model distribution to be $k$-dimensional. Then we present an algorithm for the minimization of the penalized objective, based on the infinite-dimensional low-rank optimization, which we call the alternating scheme. Also, we design an efficient approximate algorithm for a special case of the problem, where the distance between the empirical distribution and the model distribution is measured by Maximum Mean Discrepancy defined by a Mercer kernel of a certain type. We test our methods on four examples (three UDR and one SDR) using synthetic data and standard datasets.

A recent popular approach to out-of-distribution (OOD) detection is based on a self-supervised learning technique referred to as contrastive learning. There are two main variants of contrastive learning, namely instance and class discrimination, targeting features that can discriminate between different instances for the former, and different classes for the latter. In this paper, we aim to understand the effectiveness and limitation of existing contrastive learning methods for OOD detection. We approach this in 3 ways. First, we systematically study the performance difference between the instance discrimination and supervised contrastive learning variants in different OOD detection settings. Second, we study which in-distribution (ID) classes OOD data tend to be classified into. Finally, we study the spectral decay property of the different contrastive learning approaches and examine how it correlates with OOD detection performance. In scenarios where the ID and OOD datasets are sufficiently different from one another, we see that instance discrimination, in the absence of fine-tuning, is competitive with supervised approaches in OOD detection. We see that OOD samples tend to be classified into classes that have a distribution similar to the distribution of the entire dataset. Furthermore, we show that contrastive learning learns a feature space that contains singular vectors containing several directions with a high variance which can be detrimental or beneficial to OOD detection depending on the inference approach used.

We study two of the most popular performance metrics in medical image segmentation, Accuracy and Dice, when the target labels are noisy. For both metrics, several statements related to characterization and volume properties of the set of optimal segmentations are proved, and associated experiments are provided. Our main insights are: (i) the volume of the solutions to both metrics may deviate significantly from the expected volume of the target, (ii) the volume of a solution to Accuracy is always less than or equal to the volume of a solution to Dice and (iii) the optimal solutions to both of these metrics coincide when the set of feasible segmentations is constrained to the set of segmentations with the volume equal to the expected volume of the target.

Graph Learning (GL) is at the core of inference and analysis of connections in data mining and machine learning (ML). By observing a dataset of graph signals, and considering specific assumptions, Graph Signal Processing (GSP) tools can provide practical constraints in the GL approach. One applicable constraint can infer a graph with desired frequency signatures, i.e., spectral templates. However, a severe computational burden is a challenging barrier, especially for inference from high-dimensional graph signals. To address this issue and in the case of the underlying graph having graph product structure, we propose learning product (high dimensional) graphs from product spectral templates with significantly reduced complexity rather than learning them directly from high-dimensional graph signals, which, to the best of our knowledge, has not been addressed in the related areas. In contrast to the rare current approaches, our approach can learn all types of product graphs (with more than two graphs) without knowing the type of graph products and has fewer parameters. Experimental results on both the synthetic and real-world data, i.e., brain signal analysis and multi-view object images, illustrate explainable and meaningful factor graphs supported by expert-related research, as well as outperforming the rare current restricted approaches.

Graph convolutional networks (GCNs) are powerful frameworks for learning embeddings of graph-structured data. GCNs are traditionally studied through the lens of Euclidean geometry. Recent works find that non-Euclidean Riemannian manifolds provide specific inductive biases for embedding hierarchical or spherical data. However, they cannot align well with data of mixed graph topologies. We consider a larger class of pseudo-Riemannian manifolds that generalize hyperboloid and sphere. We develop new geodesic tools that allow for extending neural network operations into geodesically disconnected pseudo-Riemannian manifolds. As a consequence, we derive a pseudo-Riemannian GCN that models data in pseudo-Riemannian manifolds of constant nonzero curvature in the context of graph neural networks. Our method provides a geometric inductive bias that is sufficiently flexible to model mixed heterogeneous topologies like hierarchical graphs with cycles. We demonstrate the representational capabilities of this method by applying it to the tasks of graph reconstruction, node classification and link prediction on a series of standard graphs with mixed topologies. Empirical results demonstrate that our method outperforms Riemannian counterparts when embedding graphs of complex topologies.

Graph-based learning is a rapidly growing sub-field of machine learning with applications in social networks, citation networks, and bioinformatics. One of the most popular models is graph attention networks. They were introduced to allow a node to aggregate information from features of neighbor nodes in a non-uniform way, in contrast to simple graph convolution which does not distinguish the neighbors of a node. In this paper, we study theoretically this expected behaviour of graph attention networks. We prove multiple results on the performance of graph attention mechanism for the problem of node classification for a contextual stochastic block model. Here the node features are obtained from a mixture of Gaussians and the edges from a stochastic block model. We show that in an "easy" regime, where the distance between the means of the Gaussians is large enough, graph attention is able to distinguish inter-class from intra-class edges, and thus it maintains the weights of important edges and significantly reduces the weights of unimportant edges. Consequently, we show that this implies perfect node classification. In the "hard" regime, we show that every attention mechanism fails to distinguish intra-class from inter-class edges. We evaluate our theoretical results on synthetic and real-world data.

While deep reinforcement learning has proven to be successful in solving control tasks, the "black-box" nature of an agent has received increasing concerns. We propose a prototype-based post-hoc policy explainer, ProtoX, that explains a blackbox agent by prototyping the agent's behaviors into scenarios, each represented by a prototypical state. When learning prototypes, ProtoX considers both visual similarity and scenario similarity. The latter is unique to the reinforcement learning context, since it explains why the same action is taken in visually different states. To teach ProtoX about visual similarity, we pre-train an encoder using contrastive learning via self-supervised learning to recognize states as similar if they occur close together in time and receive the same action from the black-box agent. We then add an isometry layer to allow ProtoX to adapt scenario similarity to the downstream task. ProtoX is trained via imitation learning using behavior cloning, and thus requires no access to the environment or agent. In addition to explanation fidelity, we design different prototype shaping terms in the objective function to encourage better interpretability. We conduct various experiments to test ProtoX. Results show that ProtoX achieved high fidelity to the original black-box agent while providing meaningful and understandable explanations.

While reinforcement learning has been used widely in research during the past few years, it found fewer real-world applications than supervised learning due to some weaknesses that the RL algorithms suffer from, such as performance degradation in transitioning from the simulator to the real world. Here, we argue the design process is a reinforcement learning problem and can potentially be a proper application for RL algorithms as it is an offline process and conventionally is done in CAD software - a sort of simulator. This creates opportunities for using RL methods and, at the same time, raises challenges. While the design processes are so diverse, here we focus on the space layout planning (SLP), frame it as an RL problem under the Markov Decision Process, and use PPO to address the layout design problem. To do so, we developed an environment named RLDesigner, to simulate the SLP. The RLDesigner is an OpenAI Gym compatible environment that can be easily customized to define a diverse range of design scenarios. We publicly share the environment to encourage both RL and architecture communities to use it for testing different RL algorithms or in their design practice. The codes are available in the following GitHub repository https://github.com/ RezaKakooee/rldesigner/tree/Second_Paper

Out-of-distribution (OOD) generalization on graphs is drawing widespread attention. However, existing efforts mainly focus on the OOD issue of correlation shift. While another type, covariate shift, remains largely unexplored but is the focus of this work. From a data generation view, causal features are stable substructures in data, which play key roles in OOD generalization. While their complementary parts, environments, are unstable features that often lead to various distribution shifts. Correlation shift establishes spurious statistical correlations between environments and labels. In contrast, covariate shift means that there exist unseen environmental features in test data. Existing strategies of graph invariant learning and data augmentation suffer from limited environments or unstable causal features, which greatly limits their generalization ability on covariate shift. In view of that, we propose a novel graph augmentation strategy: Adversarial Causal Augmentation (AdvCA), to alleviate the covariate shift. Specifically, it adversarially augments the data to explore diverse distributions of the environments. Meanwhile, it keeps the causal features invariant across diverse environments. It maintains the environmental diversity while ensuring the invariance of the causal features, thereby effectively alleviating the covariate shift. Extensive experimental results with in-depth analyses demonstrate that AdvCA can outperform 14 baselines on synthetic and real-world datasets with various covariate shifts.

Graph neural networks (GNNs) have received great attention due to their success in various graph-related learning tasks. Several GNN frameworks have then been developed for fast and easy implementation of GNN models. Despite their popularity, they are not well documented, and their implementations and system performance have not been well understood. In particular, unlike the traditional GNNs that are trained based on the entire graph in a full-batch manner, recent GNNs have been developed with different graph sampling techniques for mini-batch training of GNNs on large graphs. While they improve the scalability, their training times still depend on the implementations in the frameworks as sampling and its associated operations can introduce non-negligible overhead and computational cost. In addition, it is unknown how much the frameworks are 'eco-friendly' from a green computing perspective. In this paper, we provide an in-depth study of two mainstream GNN frameworks along with three state-of-the-art GNNs to analyze their performance in terms of runtime and power/energy consumption. We conduct extensive benchmark experiments at several different levels and present detailed analysis results and observations, which could be helpful for further improvement and optimization.

This paper explores the bottleneck of feature representations of deep neural networks (DNNs), from the perspective of the complexity of interactions between input variables encoded in DNNs. To this end, we focus on the multi-order interaction between input variables, where the order represents the complexity of interactions. We discover that a DNN is more likely to encode both too simple interactions and too complex interactions, but usually fails to learn interactions of intermediate complexity. Such a phenomenon is widely shared by different DNNs for different tasks. This phenomenon indicates a cognition gap between DNNs and human beings, and we call it a representation bottleneck. We theoretically prove the underlying reason for the representation bottleneck. Furthermore, we propose a loss to encourage/penalize the learning of interactions of specific complexities, and analyze the representation capacities of interactions of different complexities.

Spatiotemporal imaging has applications in e.g. cardiac diagnostics, surgical guidance, and radiotherapy monitoring, In this paper, we explain the temporal motion by identifying the underlying dynamics, only based on the sequential images. Our dynamical model maps the inputs of observed high-dimensional sequential images to a low-dimensional latent space wherein a linear relationship between a hidden state process and the lower-dimensional representation of the inputs holds. For this, we use a conditional variational auto-encoder (CVAE) to nonlinearly map the higher-dimensional image to a lower-dimensional space, wherein we model the dynamics with a linear Gaussian state-space model (LG-SSM). The model, a modified version of the Kalman variational auto-encoder, is end-to-end trainable, and the weights, both in the CVAE and LG-SSM, are simultaneously updated by maximizing the evidence lower bound of the marginal likelihood. In contrast to the original model, we explain the motion with a spatial transformation from one image to another. This results in sharper reconstructions and the possibility of transferring auxiliary information, such as segmentation, through the image sequence. Our experiments, on cardiac ultrasound time series, show that the dynamic model outperforms traditional image registration in execution time, to a similar performance. Further, our model offers the possibility to impute and extrapolate for missing samples.

Natural laws are often described through differential equations yet finding a differential equation that describes the governing law underlying observed data is a challenging and still mostly manual task. In this paper we make a step towards the automation of this process: we propose a transformer-based sequence-to-sequence model that recovers scalar autonomous ordinary differential equations (ODEs) in symbolic form from time-series data of a single observed solution of the ODE. Our method is efficiently scalable: after one-time pretraining on a large set of ODEs, we can infer the governing laws of a new observed solution in a few forward passes of the model. Then we show that our model performs better or on par with existing methods in various test cases in terms of accurate symbolic recovery of the ODE, especially for more complex expressions.

Lung cancer is a severe menace to human health, due to which millions of people die because of late diagnoses of cancer; thus, it is vital to detect the disease as early as possible. The Computerized chest analysis Tomography of scan is assumed to be one of the efficient solutions for detecting and classifying lung nodules. The necessity of high accuracy of analyzing C.T. scan images of the lung is considered as one of the crucial challenges in detecting and classifying lung cancer. A new long-short-term-memory (LSTM) based deep fusion structure, is introduced, where, the texture features computed from lung nodules through new volumetric grey-level-co-occurrence-matrices (GLCM) computations are applied to classify the nodules into: benign, malignant and ambiguous. An improved Otsu segmentation method combined with the water strider optimization algorithm (WSA) is proposed to detect the lung nodules. Otsu-WSA thresholding can overcome the restrictions present in previous thresholding methods. Extended experiments are run to assess this fusion structure by considering 2D-GLCM computations based 2D-slices fusion, and an approximation of this 3D-GLCM with volumetric 2.5D-GLCM computations-based LSTM fusion structure. The proposed methods are trained and assessed through the LIDC-IDRI dataset, where 94.4%, 91.6%, and 95.8% Accuracy, sensitivity, and specificity are obtained, respectively for 2D-GLCM fusion and 97.33%, 96%, and 98%, accuracy, sensitivity, and specificity, respectively, for 2.5D-GLCM fusion. The yield of the same are 98.7%, 98%, and 99%, for the 3D-GLCM fusion. The obtained results and analysis indicate that the WSA-Otsu method requires less execution time and yields a more accurate thresholding process. It is found that 3D-GLCM based LSTM outperforms its counterparts.

The success of today's AI applications requires not only model training (Model-centric) but also data engineering (Data-centric). In data-centric AI, active learning (AL) plays a vital role, but current AL tools 1) require users to manually select AL strategies, and 2) can not perform AL tasks efficiently. To this end, this paper presents an automatic and efficient MLOps system for AL, named ALaaS (Active-Learning-as-a-Service). Specifically, 1) ALaaS implements an AL agent, including a performance predictor and a workflow controller, to decide the most suitable AL strategies given users' datasets and budgets. We call this a predictive-based successive halving early-stop (PSHEA) procedure. 2) ALaaS adopts a server-client architecture to support an AL pipeline and implements stage-level parallelism for high efficiency. Meanwhile, caching and batching techniques are employed to further accelerate the AL process. In addition to efficiency, ALaaS ensures accessibility with the help of the design philosophy of configuration-as-a-service. Extensive experiments show that ALaaS outperforms all other baselines in terms of latency and throughput. Also, guided by the AL agent, ALaaS can automatically select and run AL strategies for non-expert users under different datasets and budgets. Our code is available at \url{https://github.com/MLSysOps/Active-Learning-as-a-Service}.

Single-cell RNA-seq datasets are growing in size and complexity, enabling the study of cellular composition changes in various biological/clinical contexts. Scalable dimensionality reduction techniques are in need to disentangle biological variation in them, while accounting for technical and biological confounders. In this work, we extend a popular approach for probabilistic non-linear dimensionality reduction, the Gaussian process latent variable model, to scale to massive single-cell datasets while explicitly accounting for technical and biological confounders. The key idea is to use an augmented kernel which preserves the factorisability of the lower bound allowing for fast stochastic variational inference. We demonstrate its ability to reconstruct latent signatures of innate immunity recovered in Kumasaka et al. (2021) with 9x lower training time. We further analyze a COVID dataset and demonstrate across a cohort of 130 individuals, that this framework enables data integration while capturing interpretable signatures of infection. Specifically, we explore COVID severity as a latent dimension to refine patient stratification and capture disease-specific gene expression.

Deep Ensemble Convolutional Neural Networks has become a methodology of choice for analyzing medical images with a diagnostic performance comparable to a physician, including the diagnosis of Diabetic Retinopathy. However, commonly used techniques are deterministic and are therefore unable to provide any estimate of predictive uncertainty. Quantifying model uncertainty is crucial for reducing the risk of misdiagnosis. A reliable architecture should be well-calibrated to avoid over-confident predictions. To address this, we propose a UATTA-ENS: Uncertainty-Aware Test-Time Augmented Ensemble Technique for 5 Class PIRC Diabetic Retinopathy Classification to produce reliable and well-calibrated predictions.

A Differentiable Neural Computer (DNC) is a neural network with an external memory which allows for iterative content modification via read, write and delete operations. We show that information theoretic properties of the memory contents play an important role in the performance of such architectures. We introduce a novel concept of memory demon to DNC architectures which modifies the memory contents implicitly via additive input encoding. The goal of the memory demon is to maximize the expected sum of mutual information of the consecutive external memory contents.

In collective decision-making, designing algorithms that use only local information to effect swarm-level behaviour is a non-trivial problem. We used machine learning techniques to teach swarm members to map their local perceptions of the environment to an optimal action. A curriculum inspired by Machine Education approaches was designed to facilitate this learning process and teach the members the skills required for optimal performance in the collective perception problem. We extended upon previous approaches by creating a curriculum that taught agents resilience to malicious influence. The experimental results show that well-designed rules-based algorithms can produce effective agents. When performing opinion fusion, we implemented decentralised resilience by having agents dynamically weight received opinion. We found a non-significant difference between constant and dynamic weights, suggesting that momentum-based opinion fusion is perhaps already a resilience mechanism.

Semiconductor lasers, one of the key components for optical communication systems, have been rapidly evolving to meet the requirements of next generation optical networks with respect to high speed, low power consumption, small form factor etc. However, these demands have brought severe challenges to the semiconductor laser reliability. Therefore, a great deal of attention has been devoted to improving it and thereby ensuring reliable transmission. In this paper, a predictive maintenance framework using machine learning techniques is proposed for real-time heath monitoring and prognosis of semiconductor laser and thus enhancing its reliability. The proposed approach is composed of three stages: i) real-time performance degradation prediction, ii) degradation detection, and iii) remaining useful life (RUL) prediction. First of all, an attention based gated recurrent unit (GRU) model is adopted for real-time prediction of performance degradation. Then, a convolutional autoencoder is used to detect the degradation or abnormal behavior of a laser, given the predicted degradation performance values. Once an abnormal state is detected, a RUL prediction model based on attention-based deep learning is utilized. Afterwards, the estimated RUL is input for decision making and maintenance planning. The proposed framework is validated using experimental data derived from accelerated aging tests conducted for semiconductor tunable lasers. The proposed approach achieves a very good degradation performance prediction capability with a small root mean square error (RMSE) of 0.01, a good anomaly detection accuracy of 94.24% and a better RUL estimation capability compared to the existing ML-based laser RUL prediction models.

Word translation without parallel corpora has become feasible, rivaling the performance of supervised methods. Recent findings have shown that the accuracy and robustness of unsupervised word translation (UWT) can be improved by making use of visual observations, which are universal representations across languages. In this work, we investigate the potential of using not only visual observations but also pretrained language-image models for enabling a more efficient and robust UWT. Specifically, we develop a novel UWT method dubbed Word Alignment using Language-Image Pretraining (WALIP), which leverages visual observations via the shared embedding space of images and texts provided by CLIP models (Radford et al., 2021). WALIP has a two-step procedure. First, we retrieve word pairs with high confidences of similarity, computed using our proposed image-based fingerprints, which define the initial pivot for the word alignment. Second, we apply our robust Procrustes algorithm to estimate the linear mapping between two embedding spaces, which iteratively corrects and refines the estimated alignment. Our extensive experiments show that WALIP improves upon the state-of-the-art performance of bilingual word alignment for a few language pairs across different word embeddings and displays great robustness to the dissimilarity of language pairs or training corpora for two word embeddings.

Zebrafish are a common model organism used to identify new disease therapeutics. High-throughput drug screens can be performed on larval zebrafish in multi-well plates by observing changes in behaviour following a treatment. Analysis of this behaviour can be difficult, however, due to the high dimensionality of the data obtained. Statistical analysis of individual statistics (such as the distance travelled) is generally not powerful enough to detect meaningful differences between treatment groups. Here, we propose a method for classifying zebrafish models of Parkinson's disease by genotype at 5 days old. Using a set of 2D behavioural features, we train a multi-layer perceptron neural network. We further show that the use of integrated gradients can give insight into the impact of each behaviour feature on genotype classifications by the model. In this way, we provide a novel pipeline for classifying zebrafish larvae, beginning with feature preparation and ending with an impact analysis of said features.

We consider transfer learning approaches that fine-tune a pretrained deep neural network on a target task. We study generalization properties of fine-tuning to understand the problem of overfitting, which commonly occurs in practice. Previous works have shown that constraining the distance from the initialization of fine-tuning improves generalization. Using a PAC-Bayesian analysis, we observe that besides distance from initialization, Hessians affect generalization through the noise stability of deep neural networks against noise injections. Motivated by the observation, we develop Hessian distance-based generalization bounds for a wide range of fine-tuning methods. Additionally, we study the robustness of fine-tuning in the presence of noisy labels. Motivated by our theory, we design an algorithm that incorporates consistent losses and distance-based regularization for fine-tuning, along with a generalization error guarantee under class conditional independent noise in the training set labels. We perform a detailed empirical study of our algorithm on various noisy environments and architectures. On six image classification tasks whose training labels are generated with programmatic labeling, we find a 3.26% accuracy gain over prior fine-tuning methods. Meanwhile, the Hessian distance measure of the fine-tuned model decreases by six times more than existing approaches.

Supervised deep learning is most commonly applied to difficult problems defined on large and often extensively curated datasets. Here we demonstrate the ability of deep representation learning to address problems of classification and regression from small and poorly formed tabular datasets by encoding input information as abstracted sequences composed of a fixed number of characters per input field. We find that small models have sufficient capacity for approximation of various functions and achieve record classification benchmark accuracy. Such models are shown to form useful embeddings of various input features in their hidden layers, even if the learned task does not explicitly require knowledge of those features. These models are also amenable to input attribution, allowing for an estimation of the importance of each input element to the model output as well as of which inputs features are effectively embedded in the model. We present a proof-of-concept for the application of small language models to mixed tabular data without explicit feature engineering, cleaning, or preprocessing, relying on the model to perform these tasks as part of the representation learning process.

Several recent works find empirically that the average test error of deep neural networks can be estimated via the prediction disagreement of models, which does not require labels. In particular, Jiang et al. (2022) show for the disagreement between two separately trained networks that this `Generalization Disagreement Equality' follows from the well-calibrated nature of deep ensembles under the notion of a proposed `class-aggregated calibration.' In this reproduction, we show that the suggested theory might be impractical because a deep ensemble's calibration can deteriorate as prediction disagreement increases, which is precisely when the coupling of test error and disagreement is of interest, while labels are needed to estimate the calibration on new datasets. Further, we simplify the theoretical statements and proofs, showing them to be straightforward within a probabilistic context, unlike the original hypothesis space view employed by Jiang et al. (2022).

In this work, we propose a family of novel quantum kernels, namely the Hierarchical Aligned Quantum Jensen-Shannon Kernels (HAQJSK), for un-attributed graphs. Different from most existing classical graph kernels, the proposed HAQJSK kernels can incorporate hierarchical aligned structure information between graphs and transform graphs of random sizes into fixed-sized aligned graph structures, i.e., the Hierarchical Transitive Aligned Adjacency Matrix of vertices and the Hierarchical Transitive Aligned Density Matrix of the Continuous-Time Quantum Walk (CTQW). For a pair of graphs to hand, the resulting HAQJSK kernels are defined by measuring the Quantum Jensen-Shannon Divergence (QJSD) between their transitive aligned graph structures. We show that the proposed HAQJSK kernels not only reflect richer intrinsic global graph characteristics in terms of the CTQW, but also address the drawback of neglecting structural correspondence information arising in most existing R-convolution kernels. Furthermore, unlike the previous Quantum Jensen-Shannon Kernels associated with the QJSD and the CTQW, the proposed HAQJSK kernels can simultaneously guarantee the properties of permutation invariant and positive definiteness, explaining the theoretical advantages of the HAQJSK kernels. Experiments indicate the effectiveness of the proposed kernels.

Machine learning tasks often require a significant amount of training data for the resultant network to perform suitably for a given problem in any domain. In agriculture, dataset sizes are further limited by phenotypical differences between two plants of the same genotype, often as a result of differing growing conditions. Synthetically-augmented datasets have shown promise in improving existing models when real data is not available. In this paper, we employ a contrastive unpaired translation (CUT) generative adversarial network (GAN) and simple image processing techniques to translate indoor plant images to appear as field images. While we train our network to translate an image containing only a single plant, we show that our method is easily extendable to produce multiple-plant field images. Furthermore, we use our synthetic multi-plant images to train several YoloV5 nano object detection models to perform the task of plant detection and measure the accuracy of the model on real field data images. Including training data generated by the CUT-GAN leads to better plant detection performance compared to a network trained solely on real data.

This paper introduces the novel CNN-based encoder Twin Embedding Network (TEN), for the jigsaw puzzle problem (JPP), which represents a puzzle piece with respect to its boundary in a latent embedding space. Combining this latent representation with a simple distance measure, we demonstrate improved accuracy levels of our newly proposed pairwise compatibility measure (CM), compared to that of various classical methods, for degraded puzzles with eroded tile boundaries. We focus on this problem instance for our case study, as it serves as an appropriate testbed for real-world scenarios. Specifically, we demonstrated an improvement of up to 8.5% and 16.8% in reconstruction accuracy, for so-called Type-1 and Type-2 problem variants, respectively. Furthermore, we also demonstrated that TEN is faster by a few orders of magnitude, on average, than a typical deep neural network (NN) model, i.e., it is as fast as the classical methods. In this regard, the paper makes a significant first attempt at bridging the gap between the relatively low accuracy (of classical methods and the intensive computational complexity (of NN models), for practical, real-world puzzle-like problems.

The activity of the grid cell population in the medial entorhinal cortex (MEC) of the mammalian brain forms a vector representation of the self-position of the animal. Recurrent neural networks have been proposed to explain the properties of the grid cells by updating the neural activity vector based on the velocity input of the animal. In doing so, the grid cell system effectively performs path integration. In this paper, we investigate the algebraic, geometric, and topological properties of grid cells using recurrent network models. Algebraically, we study the Lie group and Lie algebra of the recurrent transformation as a representation of self-motion. Geometrically, we study the conformal isometry of the Lie group representation where the local displacement of the activity vector in the neural space is proportional to the local displacement of the agent in the 2D physical space. Topologically, the compact abelian Lie group representation automatically leads to the torus topology commonly assumed and observed in neuroscience. We then focus on a simple non-linear recurrent model that underlies the continuous attractor neural networks of grid cells. Our numerical experiments show that conformal isometry leads to hexagon periodic patterns in the grid cell responses and our model is capable of accurate path integration. Code is available at \url{https://github.com/DehongXu/grid-cell-rnn}.

Semantic code search is the task of retrieving a code snippet given a textual description of its functionality. Recent work has been focused on using similarity metrics between neural embeddings of text and code. However, current language models are known to struggle with longer, compositional text, and multi-step reasoning. To overcome this limitation, we propose supplementing the query sentence with a layout of its semantic structure. The semantic layout is used to break down the final reasoning decision into a series of lower-level decisions. We use a Neural Module Network architecture to implement this idea. We compare our model - NS3 (Neuro-Symbolic Semantic Search) - to a number of baselines, including state-of-the-art semantic code retrieval methods, and evaluate on two datasets - CodeSearchNet and Code Search and Question Answering. We demonstrate that our approach results in more precise code retrieval, and we study the effectiveness of our modular design when handling compositional queries.

In this paper, we present a lightweight and effective change detection model, called TinyCD. This model has been designed to be faster and smaller than current state-of-the-art change detection models due to industrial needs. Despite being from 13 to 140 times smaller than the compared change detection models, and exposing at least a third of the computational complexity, our model outperforms the current state-of-the-art models by at least $1\%$ on both F1 score and IoU on the LEVIR-CD dataset, and more than $8\%$ on the WHU-CD dataset. To reach these results, TinyCD uses a Siamese U-Net architecture exploiting low-level features in a globally temporal and locally spatial way. In addition, it adopts a new strategy to mix features in the space-time domain both to merge the embeddings obtained from the Siamese backbones, and, coupled with an MLP block, it forms a novel space-semantic attention mechanism, the Mix and Attention Mask Block (MAMB). Source code, models and results are available here: https://github.com/AndreaCodegoni/Tiny_model_4_CD

In this paper, we deal with a general distributed constrained online learning problem with privacy over time-varying networks, where a class of nondecomposable objective functions are considered. Under this setting, each node only controls a part of the global decision variable, and the goal of all nodes is to collaboratively minimize the global objective over a time horizon $T$ while guarantees the security of the transmitted information. For such problems, we first design a novel generic algorithm framework, named as DPSDA, of differentially private distributed online learning using the Laplace mechanism and the stochastic variants of dual averaging method. Then, we propose two algorithms, named as DPSDA-C and DPSDA-PS, under this framework. Theoretical results show that both algorithms attain an expected regret upper bound in $\mathcal{O}( \sqrt{T} )$ when the objective function is convex, which matches the best utility achievable by cutting-edge algorithms. Finally, numerical experiment results on both real-world and randomly generated datasets verify the effectiveness of our algorithms.

Proteins play a central role in biology from immune recognition to brain activity. While major advances in machine learning have improved our ability to predict protein structure from sequence, determining protein function from structure remains a major challenge. Here, we introduce Holographic Convolutional Neural Network (H-CNN) for proteins, which is a physically motivated machine learning approach to model amino acid preferences in protein structures. H-CNN reflects physical interactions in a protein structure and recapitulates the functional information stored in evolutionary data. H-CNN accurately predicts the impact of mutations on protein function, including stability and binding of protein complexes. Our interpretable computational model for protein structure-function maps could guide design of novel proteins with desired function.

Dexterous and autonomous robots should be capable of executing elaborated dynamical motions skillfully. Learning techniques may be leveraged to build models of such dynamic skills. To accomplish this, the learning model needs to encode a stable vector field that resembles the desired motion dynamics. This is challenging as the robot state does not evolve on a Euclidean space, and therefore the stability guarantees and vector field encoding need to account for the geometry arising from, for example, the orientation representation. To tackle this problem, we propose learning Riemannian stable dynamical systems (RSDS) from demonstrations, allowing us to account for different geometric constraints resulting from the dynamical system state representation. Our approach provides Lyapunov-stability guarantees on Riemannian manifolds that are enforced on the desired motion dynamics via diffeomorphisms built on neural manifold ODEs. We show that our Riemannian approach makes it possible to learn stable dynamical systems displaying complicated vector fields on both illustrative examples and real-world manipulation tasks, where Euclidean approximations fail.

We present Neighborhood Attention (NA), the first efficient and scalable sliding-window attention mechanism for vision. NA is a pixel-wise operation, localizing self attention (SA) to the nearest neighboring pixels, and therefore enjoys a linear time and space complexity compared to the quadratic complexity of SA. The sliding-window pattern allows NA's receptive field to grow without needing extra pixel shifts, and preserves translational equivariance, unlike Swin Transformer's Window Self Attention (WSA). We develop NATTEN (Neighborhood Attention Extension), a Python package with efficient C++ and CUDA kernels, which allows NA to run up to 40% faster than Swin's WSA while using up to 25% less memory. We further present Neighborhood Attention Transformer (NAT), a new hierarchical transformer design based on NA that boosts image classification and downstream vision performance. Experimental results on NAT are competitive; NAT-Tiny reaches 83.2% top-1 accuracy on ImageNet, 51.4% mAP on MS-COCO and 48.4% mIoU on ADE20K, which is 1.9% ImageNet accuracy, 1.0% COCO mAP, and 2.6% ADE20K mIoU improvement over a Swin model with similar size. To support more research based on sliding-window attention, we open source our project and release our checkpoints at: https://github.com/SHI-Labs/Neighborhood-Attention-Transformer.

In the absence of high-resolution samples, super-resolution of sparse observations on dynamical systems is a challenging problem with wide-reaching applications in experimental settings. We showcase the application of physics-informed convolutional neural networks for super-resolution of sparse observations on grids. Results are shown for the chaotic-turbulent Kolmogorov flow, demonstrating the potential of this method for resolving finer scales of turbulence when compared with classic interpolation methods, and thus effectively reconstructing missing physics.

Mathematical modeling of lithium-ion batteries (LiBs) is a primary challenge in advanced battery management. This paper proposes two new frameworks to integrate physics-based models with machine learning to achieve high-precision modeling for LiBs. The frameworks are characterized by informing the machine learning model of the state information of the physical model, enabling a deep integration between physics and machine learning. Based on the frameworks, a series of hybrid models are constructed, through combining an electrochemical model and an equivalent circuit model, respectively, with a feedforward neural network. The hybrid models are relatively parsimonious in structure and can provide considerable voltage predictive accuracy under a broad range of C-rates, as shown by extensive simulations and experiments. The study further expands to conduct aging-aware hybrid modeling, leading to the design of a hybrid model conscious of the state-of-health to make prediction. The experiments show that the model has high voltage predictive accuracy throughout a LiB's cycle life.

We develop a novel family of metrics over measures, using $p$-Wasserstein style optimal transport (OT) formulation with dual-norm based regularized marginal constraints. Our study is motivated by the observation that existing works have only explored $\phi$-divergence regularized Wasserstein metrics like the Generalized Wasserstein metrics or the Gaussian-Hellinger-Kantorovich metrics. It is an open question if Wasserstein style metrics can be defined using regularizers that are not $\phi$-divergence based. Our work provides an affirmative answer by proving that the proposed formulation, under mild conditions, indeed induces valid metrics for any dual norm. The proposed regularized metrics seem to achieve the best of both worlds by inheriting useful properties from the parent metrics, viz., the $p$-Wasserstein and the dual-norm involved. For example, when the dual norm is Maximum Mean Discrepancy (MMD), we prove that the proposed regularized metrics inherit the dimension-free sample complexity from the MMD regularizer; while preserving/enhancing other useful properties of the $p$-Wasserstein metric. Further, when $p=1$, we derive a Fenchel dual, which enables proving that the proposed metrics actually induce novel norms over measures. Also, in this case, we show that the mixture geodesic, which is a common geodesic for the parent metrics, remains a geodesic. We empirically study various properties of the proposed metrics and show their utility in diverse applications.

In learning-based semantic communications, neural networks have replaced different building blocks in traditional communication systems. However, the digital modulation still remains a challenge for neural networks. The intrinsic mechanism of neural network based digital modulation is mapping continuous output of the neural network encoder into discrete constellation symbols, which is a non-differentiable function that cannot be trained with existing gradient descend algorithms. To overcome this challenge, in this paper we develop a joint coding-modulation scheme for digital semantic communications with BPSK modulation. In our method, the neural network outputs the likelihood of each constellation point, instead of having a concrete mapping. A random code rather than a deterministic code is hence used, which preserves more information for the symbols with a close likelihood on each constellation point. The joint coding-modulation design can match the modulation process with channel states, and hence improve the performance of digital semantic communications. Experiment results show that our method outperforms existing digital modulation methods in semantic communications over a wide range of SNR, and outperforms neural network based analog modulation method in low SNR regime.

Intonations play an important role in delivering the intention of a speaker. However, current end-to-end TTS systems often fail to model proper intonations. To alleviate this problem, we propose a novel, intuitive method to synthesize speech in different intonations using predefined intonation templates. Prior to TTS model training, speech data are grouped into intonation templates in an unsupervised manner. Two proposed modules are added to the end-to-end TTS framework: an intonation predictor and an intonation encoder. The intonation predictor recommends a suitable intonation template to the given text. The intonation encoder, attached to the text encoder output, synthesizes speech abiding the requested intonation template. Main contributions of our paper are: (a) an easy-to-use intonation control system covering a wide range of users; (b) better performance in wrapping speech in a requested intonation with improved objective and subjective evaluation; and (c) incorporating a pre-trained language model for intonation modelling. Audio samples are available at https://srtts.github.io/IntoTTS.

Deep hashing has been extensively utilized in massive image retrieval because of its efficiency and effectiveness. However, deep hashing models are vulnerable to adversarial examples, making it essential to develop adversarial defense methods for image retrieval. Existing solutions achieved limited defense performance because of using weak adversarial samples for training and lacking discriminative optimization objectives to learn robust features. In this paper, we present a min-max based Center-guided Adversarial Training, namely CgAT, to improve the robustness of deep hashing networks through worst adversarial examples. Specifically, we first formulate the center code as a semantically-discriminative representative of the input image content, which preserves the semantic similarity with positive samples and dissimilarity with negative examples. We prove that a mathematical formula can calculate the center code immediately. After obtaining the center codes in each optimization iteration of the deep hashing network, they are adopted to guide the adversarial training process. On the one hand, CgAT generates the worst adversarial examples as augmented data by maximizing the Hamming distance between the hash codes of the adversarial examples and the center codes. On the other hand, CgAT learns to mitigate the effects of adversarial samples by minimizing the Hamming distance to the center codes. Extensive experiments on the benchmark datasets demonstrate the effectiveness of our adversarial training algorithm in defending against adversarial attacks for deep hashing-based retrieval. Compared with the current state-of-the-art defense method, we significantly improve the defense performance by an average of 18.61%, 12.35%, and 11.56% on FLICKR-25K, NUS-WIDE, and MS-COCO, respectively.

We propose KGTN-ens, a framework extending the recent Knowledge Graph Transfer Network (KGTN) in order to incorporate multiple knowledge graph embeddings at a small cost. We evaluate it with different combinations of embeddings in a few-shot image classification task. We also construct a new knowledge source - Wikidata embeddings - and evaluate it with KGTN and KGTN-ens. Our approach outperforms KGTN in terms of the top-5 accuracy on the ImageNet-FS dataset for the majority of tested settings.

The study of decentralized learning or independent learning in cooperative multi-agent reinforcement learning has a history of decades. Recently empirical studies show that independent PPO (IPPO) can obtain good performance, close to or even better than the methods of centralized training with decentralized execution, in several benchmarks. However, decentralized actor-critic with convergence guarantee is still open. In this paper, we propose \textit{decentralized policy optimization} (DPO), a decentralized actor-critic algorithm with monotonic improvement and convergence guarantee. We derive a novel decentralized surrogate for policy optimization such that the monotonic improvement of joint policy can be guaranteed by each agent \textit{independently} optimizing the surrogate. In practice, this decentralized surrogate can be realized by two adaptive coefficients for policy optimization at each agent. Empirically, we compare DPO with IPPO in a variety of cooperative multi-agent tasks, covering discrete and continuous action spaces, and fully and partially observable environments. The results show DPO outperforms IPPO in most tasks, which can be the evidence for our theoretical results.

This paper presents a proof-of-concept method for classifying chemical compounds directly from NMR data without doing structure elucidation. This can help to reduce time in finding good structure candidates, as in most cases matching must be done by a human engineer, or at the very least a process for matching must be meaningfully interpreted by one. Therefore, for a long time automation in the area of NMR has been actively sought. The method identified as suitable for the classification is a convolutional neural network (CNN). Other methods, including clustering and image registration, have not been found suitable for the task in a comparative analysis. The result shows that deep learning can offer solutions to automation problems in cheminformatics.

Recent advances in multimodal single-cell technologies have enabled simultaneous acquisitions of multiple omics data from the same cell, providing deeper insights into cellular states and dynamics. However, it is challenging to learn the joint representations from the multimodal data, model the relationship between modalities, and, more importantly, incorporate the vast amount of single-modality datasets into the downstream analyses. To address these challenges and correspondingly facilitate multimodal single-cell data analyses, three key tasks have been introduced: $\textit{modality prediction}$, $\textit{modality matching}$ and $\textit{joint embedding}$. In this work, we present a general Graph Neural Network framework $\textit{scMoGNN}$ to tackle these three tasks and show that $\textit{scMoGNN}$ demonstrates superior results in all three tasks compared with the state-of-the-art and conventional approaches. Our method is an official winner in the overall ranking of $\textit{Modality prediction}$ from NeurIPS 2021 Competition, and all implementations of our methods have been integrated into DANCE package~\url{https://github.com/OmicsML/dance}.

Recently, Neural architecture search has achieved great success on classification tasks for mobile devices. The backbone network for object detection is usually obtained on the image classification task. However, the architecture which is searched through the classification task is sub-optimal because of the gap between the task of image and object detection. As while work focuses on backbone network architecture search for mobile device object detection is limited, mainly because the backbone always requires expensive ImageNet pre-training. Accordingly, it is necessary to study the approach of network architecture search for mobile device object detection without expensive pre-training. In this work, we propose a mobile object detection backbone network architecture search algorithm which is a kind of evolutionary optimized method based on non-dominated sorting for NAS scenarios. It can quickly search to obtain the backbone network architecture within certain constraints. It better solves the problem of suboptimal linear combination accuracy and computational cost. The proposed approach can search the backbone networks with different depths, widths, or expansion sizes via a technique of weight mapping, making it possible to use NAS for mobile devices detection tasks a lot more efficiently. In our experiments, we verify the effectiveness of the proposed approach on YoloX-Lite, a lightweight version of the target detection framework. Under similar computational complexity, the accuracy of the backbone network architecture we search for is 2.0% mAP higher than MobileDet. Our improved backbone network can reduce the computational effort while improving the accuracy of the object detection network. To prove its effectiveness, a series of ablation studies have been carried out and the working mechanism has been analyzed in detail.

Several solutions for lightweight TTS have shown promising results. Still, they either rely on a hand-crafted design that reaches non-optimum size or use a neural architecture search but often suffer training costs. We present Nix-TTS, a lightweight TTS achieved via knowledge distillation to a high-quality yet large-sized, non-autoregressive, and end-to-end (vocoder-free) TTS teacher model. Specifically, we offer module-wise distillation, enabling flexible and independent distillation to the encoder and decoder module. The resulting Nix-TTS inherited the advantageous properties of being non-autoregressive and end-to-end from the teacher, yet significantly smaller in size, with only 5.23M parameters or up to 89.34% reduction of the teacher model; it also achieves over 3.04x and 8.36x inference speedup on Intel-i7 CPU and Raspberry Pi 3B respectively and still retains a fair voice naturalness and intelligibility compared to the teacher model. We provide pretrained models and audio samples of Nix-TTS.

The application of superconducting materials is becoming more and more widespread. Traditionally, the discovery of new superconducting materials relies on the experience of experts and a large number of "trial and error" experiments, which not only increases the cost of experiments but also prolongs the period of discovering new superconducting materials. In recent years, machine learning has been increasingly applied to materials science. Based on this, this manuscript proposes the use of XGBoost model to identify superconductors; the first application of deep forest model to predict the critical temperature of superconductors; the first application of deep forest to predict the band gap of materials; and application of a new sub-network model to predict the Fermi energy level of materials. Compared with our known similar literature, all the above algorithms reach state-of-the-art. Finally, this manuscript uses the above models to search the COD public dataset and identify 50 candidate superconducting materials with possible critical temperature greater than 90 K.

We study stochastic monotone inclusion problems, which widely appear in machine learning applications, including robust regression and adversarial learning. We propose novel variants of stochastic Halpern iteration with recursive variance reduction. In the cocoercive -- and more generally Lipschitz-monotone -- setup, our algorithm attains $\epsilon$ norm of the operator with $\mathcal{O}(\frac{1}{\epsilon^3})$ stochastic operator evaluations, which significantly improves over state of the art $\mathcal{O}(\frac{1}{\epsilon^4})$ stochastic operator evaluations required for existing monotone inclusion solvers applied to the same problem classes. We further show how to couple one of the proposed variants of stochastic Halpern iteration with a scheduled restart scheme to solve stochastic monotone inclusion problems with ${\mathcal{O}}(\frac{\log(1/\epsilon)}{\epsilon^2})$ stochastic operator evaluations under additional sharpness or strong monotonicity assumptions.

In this paper, we present a method for unconstrained end-to-end head pose estimation. We address the problem of ambiguous rotation labels by introducing the rotation matrix formalism for our ground truth data and propose a continuous 6D rotation matrix representation for efficient and robust direct regression. This way, our method can learn the full rotation appearance which is contrary to previous approaches that restrict the pose prediction to a narrow-angle for satisfactory results. In addition, we propose a geodesic distance-based loss to penalize our network with respect to the SO(3) manifold geometry. Experiments on the public AFLW2000 and BIWI datasets demonstrate that our proposed method significantly outperforms other state-of-the-art methods by up to 20\%. We open-source our training and testing code along with our pre-trained models: https://github.com/thohemp/6DRepNet.

Large speech emotion recognition datasets are hard to obtain, and small datasets may contain biases. Deep-net-based classifiers, in turn, are prone to exploit those biases and find shortcuts such as speaker characteristics. These shortcuts usually harm a model's ability to generalize. To address this challenge, we propose a gradient-based adversary learning framework that learns a speech emotion recognition task while normalizing speaker characteristics from the feature representation. We demonstrate the efficacy of our method on both speaker-independent and speaker-dependent settings and obtain new state-of-the-art results on the challenging IEMOCAP dataset.

Epistemic graphs generalize the epistemic approach to probabilistic argumentation and tackle the uncertainties in and between arguments. A framework was proposed to generate epistemic constraints from data using a two-way generalization method in the perspective of only considering the beliefs of participants without considering the nature of relations represented in an epistemic graph. The deficiency of original framework is that it is unable to learn rules using tighter constraints, and the learnt rules might be counterintuitive. Meanwhile, when dealing with more restricted values, the filtering computational complexity will increase sharply, and the time performance would become unreasonable. This paper introduces a filtering-based approach using a multiple-way generalization step to generate a set of rational rules based on both the beliefs of each agent on different arguments and the epistemic graph corresponding to the epistemic constraints. This approach is able to generated rational rules with multiple restricted values in higher efficiency. Meanwhile, we have proposed a standard to analyze the rationality of a dataset based on the postulates of deciding rational rules. We evaluate the filtering-based approach on two suitable data bases. The empirical results show that the filtering-based approach performs well with a better efficiency comparing to the original framework, and rules generated from the improved approach are ensured to be rational.

Reinforcement learning (RL) operating on attack graphs leveraging cyber terrain principles are used to develop reward and state associated with determination of surveillance detection routes (SDR). This work extends previous efforts on developing RL methods for path analysis within enterprise networks. This work focuses on building SDR where the routes focus on exploring the network services while trying to evade risk. RL is utilized to support the development of these routes by building a reward mechanism that would help in realization of these paths. The RL algorithm is modified to have a novel warm-up phase which decides in the initial exploration which areas of the network are safe to explore based on the rewards and penalty scale factor.

Entity alignment is to find identical entities in different knowledge graphs (KGs) that refer to the same real-world object. Embedding-based entity alignment techniques have been drawing a lot of attention recently because they can help solve the issue of symbolic heterogeneity in different KGs. However, in this paper, we show that the progress made in the past was due to biased and unchallenging evaluation. We highlight two major flaws in existing datasets that favor embedding-based entity alignment techniques, i.e., the isomorphic graph structures in relation triples and the weak heterogeneity in attribute triples. Towards a critical evaluation of embedding-based entity alignment methods, we construct a new dataset with heterogeneous relations and attributes based on event-centric KGs. We conduct extensive experiments to evaluate existing popular methods, and find that they fail to achieve promising performance. As a new approach to this difficult problem, we propose a time-aware literal encoder for entity alignment. The dataset and source code are publicly available to foster future research. Our work calls for more effective and practical embedding-based solutions to entity alignment.

Unsupervised pixel-level defective region segmentation is an important task in image-based anomaly detection for various industrial applications. The state-of-the-art methods have their own advantages and limitations: matrix-decomposition-based methods are robust to noise but lack complex background image modeling capability; representation-based methods are good at defective region localization but lack accuracy in defective region shape contour extraction; reconstruction-based methods detected defective region match well with the ground truth defective region shape contour but are noisy. To combine the best of both worlds, we present an unsupervised patch autoencoder based deep image decomposition (PAEDID) method for defective region segmentation. In the training stage, we learn the common background as a deep image prior by a patch autoencoder (PAE) network. In the inference stage, we formulate anomaly detection as an image decomposition problem with the deep image prior and domain-specific regularizations. By adopting the proposed approach, the defective regions in the image can be accurately extracted in an unsupervised fashion. We demonstrate the effectiveness of the PAEDID method in simulation studies and an industrial dataset in the case study.

Learning curves provide insight into the dependence of a learner's generalization performance on the training set size. This important tool can be used for model selection, to predict the effect of more training data, and to reduce the computational complexity of model training and hyperparameter tuning. This review recounts the origins of the term, provides a formal definition of the learning curve, and briefly covers basics such as its estimation. Our main contribution is a comprehensive overview of the literature regarding the shape of learning curves. We discuss empirical and theoretical evidence that supports well-behaved curves that often have the shape of a power law or an exponential. We consider the learning curves of Gaussian processes, the complex shapes they can display, and the factors influencing them. We draw specific attention to examples of learning curves that are ill-behaved, showing worse learning performance with more training data. To wrap up, we point out various open problems that warrant deeper empirical and theoretical investigation. All in all, our review underscores that learning curves are surprisingly diverse and no universal model can be identified.

CLIP yielded impressive results on zero-shot transfer learning tasks and is considered as a foundation model like BERT or GPT3. CLIP vision models that have a rich representation are pre-trained using the InfoNCE objective and natural language supervision before they are fine-tuned on particular tasks. Though CLIP excels at zero-shot transfer learning, it suffers from an explaining away problem, that is, it focuses on one or few features, while neglecting other relevant features. This problem is caused by insufficiently extracting the covariance structure in the original multi-modal data. We suggest to use modern Hopfield networks to tackle the problem of explaining away. Their retrieved embeddings have an enriched covariance structure derived from co-occurrences of features in the stored embeddings. However, modern Hopfield networks increase the saturation effect of the InfoNCE objective which hampers learning. We propose to use the InfoLOOB objective to mitigate this saturation effect. We introduce the novel "Contrastive Leave One Out Boost" (CLOOB), which uses modern Hopfield networks for covariance enrichment together with the InfoLOOB objective. In experiments we compare CLOOB to CLIP after pre-training on the Conceptual Captions and the YFCC dataset with respect to their zero-shot transfer learning performance on other datasets. CLOOB consistently outperforms CLIP at zero-shot transfer learning across all considered architectures and datasets.

The increasing reliance on online communities for healthcare information by patients and caregivers has led to the increase in the spread of misinformation, or subjective, anecdotal and inaccurate or non-specific recommendations, which, if acted on, could cause serious harm to the patients. Hence, there is an urgent need to connect users with accurate and tailored health information in a timely manner to prevent such harm. This paper proposes an innovative approach to suggesting reliable information to participants in online communities as they move through different stages in their disease or treatment. We hypothesize that patients with similar histories of disease progression or course of treatment would have similar information needs at comparable stages. Specifically, we pose the problem of predicting topic tags or keywords that describe the future information needs of users based on their profiles, traces of their online interactions within the community (past posts, replies) and the profiles and traces of online interactions of other users with similar profiles and similar traces of past interaction with the target users. The result is a variant of the collaborative information filtering or recommendation system tailored to the needs of users of online health communities. We report results of our experiments on an expert curated data set which demonstrate the superiority of the proposed approach over the state of the art baselines with respect to accurate and timely prediction of topic tags (and hence information sources of interest).

In this paper, we present a robust and low complexity deep learning model for Remote Sensing Image Classification (RSIC), the task of identifying the scene of a remote sensing image. In particular, we firstly evaluate different low complexity and benchmark deep neural networks: MobileNetV1, MobileNetV2, NASNetMobile, and EfficientNetB0, which present the number of trainable parameters lower than 5 Million (M). After indicating best network architecture, we further improve the network performance by applying attention schemes to multiple feature maps extracted from middle layers of the network. To deal with the issue of increasing the model footprint as using attention schemes, we apply the quantization technique to satisfies the number trainable parameter of the model lower than 5 M. By conducting extensive experiments on the benchmark datasets NWPU-RESISC45, we achieve a robust and low-complexity model, which is very competitive to the state-of-the-art systems and potential for real-life applications on edge devices.

Recently proposed methods in data subset selection, that is active learning and active sampling, use Fisher information, Hessians, similarity matrices based on gradients, and gradient lengths to estimate how informative data is for a model's training. Are these different approaches connected, and if so, how? We revisit the fundamentals of Bayesian optimal experiment design and show that these recently proposed methods can be understood as approximations to information-theoretic quantities: among them, the mutual information between predictions and model parameters, known as expected information gain or BALD in machine learning, and the mutual information between predictions of acquisition candidates and test samples, known as expected predictive information gain. We develop a comprehensive set of approximations using Fisher information and observed information and derive a unified framework that connects seemingly disparate literature. Although Bayesian methods are often seen as separate from non-Bayesian ones, the sometimes fuzzy notion of "informativeness" expressed in various non-Bayesian objectives leads to the same couple of information quantities, which were, in principle, already known by Lindley (1956) and MacKay (1992).

Skeleton-based Motion Capture (MoCap) systems have been widely used in the game and film industry for mimicking complex human actions for a long time. MoCap data has also proved its effectiveness in human activity recognition tasks. However, it is a quite challenging task for smaller datasets. The lack of such data for industrial activities further adds to the difficulties. In this work, we have proposed an ensemble-based machine learning methodology that is targeted to work better on MoCap datasets. The experiments have been performed on the MoCap data given in the Bento Packaging Activity Recognition Challenge 2021. Bento is a Japanese word that resembles lunch-box. Upon processing the raw MoCap data at first, we have achieved an astonishing accuracy of 98% on 10-fold Cross-Validation and 82% on Leave-One-Out-Cross-Validation by using the proposed ensemble model.

In this article we present SHARP, an original approach for obtaining human activity recognition (HAR) through the use of commercial IEEE 802.11 (Wi-Fi) devices. SHARP grants the possibility to discern the activities of different persons, across different time-spans and environments. To achieve this, we devise a new technique to clean and process the channel frequency response (CFR) phase of the Wi-Fi channel, obtaining an estimate of the Doppler shift at a radio monitor device. The Doppler shift reveals the presence of moving scatterers in the environment, while not being affected by (environment-specific) static objects. SHARP is trained on data collected as a person performs seven different activities in a single environment. It is then tested on different setups, to assess its performance as the person, the day and/or the environment change with respect to those considered at training time. In the worst-case scenario, it reaches an average accuracy higher than 95%, validating the effectiveness of the extracted Doppler information, used in conjunction with a learning algorithm based on a neural network, in recognizing human activities in a subject and environment independent way. The collected CFR dataset and the code are publicly available for replicability and benchmarking purposes.

Bayesian causal structure learning aims to learn a posterior distribution over directed acyclic graphs (DAGs), and the mechanisms that define the relationship between parent and child variables. By taking a Bayesian approach, it is possible to reason about the uncertainty of the causal model. The notion of modelling the uncertainty over models is particularly crucial for causal structure learning since the model could be unidentifiable when given only a finite amount of observational data. In this paper, we introduce a novel method to jointly learn the structure and mechanisms of the causal model using Variational Bayes, which we call Variational Bayes-DAG-GFlowNet (VBG). We extend the method of Bayesian causal structure learning using GFlowNets to learn not only the posterior distribution over the structure, but also the parameters of a linear-Gaussian model. Our results on simulated data suggest that VBG is competitive against several baselines in modelling the posterior over DAGs and mechanisms, while offering several advantages over existing methods, including the guarantee to sample acyclic graphs, and the flexibility to generalize to non-linear causal mechanisms.

Structural alterations have been thoroughly investigated in the brain during the early onset of schizophrenia (SCZ) with the development of neuroimaging methods. The objective of the paper is an efficient classification of SCZ in 2 different classes: Cognitive Normal (CN), and SCZ using magnetic resonance imaging (MRI) images. This paper proposed a lightweight 3D convolutional neural network (CNN) based framework for SCZ diagnosis using MRI images. In the proposed model, lightweight 3D CNN is used to extract both spatial and spectral features simultaneously from 3D volume MRI scans, and classification is done using an ensemble bagging classifier. Ensemble bagging classifier contributes to preventing overfitting, reduces variance, and improves the model's accuracy. The proposed algorithm is tested on datasets taken from three benchmark databases available as open-source: MCICShare, COBRE, and fBRINPhase-II. These datasets have undergone preprocessing steps to register all the MRI images to the standard template and reduce the artifacts. The model achieves the highest accuracy 92.22%, sensitivity 94.44%, specificity 90%, precision 90.43%, recall 94.44%, F1-score 92.39% and G-mean 92.19% as compared to the current state-of-the-art techniques. The performance metrics evidenced the use of this model to assist the clinicians for automatic accurate diagnosis of SCZ.

This paper presents a 1-D convolutional graph neural network for fault detection in microgrids. The combination of 1-D convolutional neural networks (1D-CNN) and graph convolutional networks (GCN) helps extract both spatial-temporal correlations from the voltage measurements in microgrids. The fault detection scheme includes fault event detection, fault type and phase classification, and fault location. There are five neural network model training to handle these tasks. Transfer learning and fine-tuning are applied to reduce training efforts. The combined recurrent graph convolutional neural networks (1D-CGCN) is compared with the traditional ANN structure on the Potsdam 13-bus microgrid dataset. The achievable accuracy of 99.27%, 98.1%, 98.75%, and 95.6% for fault detection, fault type classification, fault phase identification, and fault location respectively.

With big data becoming increasingly available, IoT hardware becoming widely adopted, and AI capabilities becoming more powerful, organizations are continuously investing in sensing. Data coming from sensor networks are currently combined with sensor fusion and AI algorithms to drive innovation in fields such as self-driving cars. Data from these sensors can be utilized in numerous use cases, including alerts in safety systems of urban settings, for events such as gun shots and explosions. Moreover, diverse types of sensors, such as sound sensors, can be utilized in low-light conditions or at locations where a camera is not available. This paper investigates the potential of the utilization of sound-sensor data in an urban context. Technically, we propose a novel approach of classifying sound data using the Wigner-Ville distribution and Convolutional Neural Networks. In this paper, we report on the performance of the approach on open-source datasets. The concept and work presented is based on my doctoral thesis, which was performed as part of the Engineering Doctorate program in Data Science at the University of Eindhoven, in collaboration with the Dutch National Police. Additional work on real-world datasets was performed during the thesis, which are not presented here due to confidentiality.

The saddle point (SP) calculation is a grand challenge for computationally intensive energy function in computational chemistry area, where the saddle point may represent the transition state (TS). The traditional methods need to evaluate the gradients of the energy function at a very large number of locations. To reduce the number of expensive computations of the true gradients, we propose an active learning framework consisting of a statistical surrogate model, Gaussian process regression (GPR) for the energy function, and a single-walker dynamics method, gentle accent dynamics (GAD), for the saddle-type transition states. SP is detected by the GAD applied to the GPR surrogate for the gradient vector and the Hessian matrix. Our key ingredient for efficiency improvements is an active learning method which sequentially designs the most informative locations and takes evaluations of the original model at these locations to train GPR. We formulate this active learning task as the optimal experimental design problem and propose a very efficient sample-based sub-optimal criterion to construct the optimal locations. We show that the new method significantly decreases the required number of energy or force evaluations of the original model.

Graph neural networks (GNN) are very popular methods in machine learning and have been applied very successfully to the prediction of the properties of molecules and materials. First-order GNNs are well known to be incomplete, i.e., there exist graphs that are distinct but appear identical when seen through the lens of the GNN. More complicated schemes have thus been designed to increase their resolving power. Applications to molecules (and more generally, point clouds), however, add a geometric dimension to the problem. The most straightforward and prevalent approach to construct graph representation for molecules regards atoms as vertices in a graph and draws a bond between each pair of atoms within a chosen cutoff. Bonds can be decorated with the distance between atoms, and the resulting "distance graph NNs" (dGNN) have empirically demonstrated excellent resolving power and are widely used in chemical ML, with all known indistinguishable configurations being resolved in the fully-connected limit, which is equivalent to infinite or sufficiently large cutoff. Here we present a counterexample that proves that dGNNs are not complete even for the restricted case of fully-connected graphs induced by 3D atom clouds. We construct pairs of distinct point clouds whose associated graphs are, for any cutoff radius, equivalent based on a first-order Weisfeiler-Lehman test. This class of degenerate structures includes chemically-plausible configurations, both for isolated structures and for infinite structures that are periodic in 1, 2, and 3 dimensions. The existence of indistinguishable configurations sets an ultimate limit to the expressive power of some of the well-established GNN architectures for atomistic machine learning. Models that explicitly use angular or directional information in the description of atomic environments can resolve this class of degeneracies.

Learning to differentiate model distributions from observed data is a fundamental problem in statistics and machine learning, and high-dimensional data remains a challenging setting for such problems. Metrics that quantify the disparity in probability distributions, such as the Stein discrepancy, play an important role in statistical testing in high dimensions. In this paper, we investigate the role of $L^2$ regularization in training a neural network Stein critic so as to distinguish between data sampled from an unknown probability distribution and a nominal model distribution. Motivated by the Neural Tangent Kernel (NTK) theory, we develop a novel staging procedure for the weight of regularization over training time. This leverages the advantages of highly-regularized training at early times while also empirically delaying overfitting. Theoretically, we prove the approximation of the training dynamic by the kernel optimization, namely the ``lazy training'', when the $L^2$ regularization weight is large. The result provides a guarantee of learning the optimal critic assuming sufficient alignment with the leading eigen-modes of the zero-time NTK. The benefit of the staged $L^2$ regularization is demonstrated on simulated high dimensional distribution drift data and an application to evaluating generative models of image data.

Drug development is a wide scientific field that faces many challenges these days. Among them are extremely high development costs, long development times, as well as a low number of new drugs that are approved each year. To solve these problems, new and innovate technologies are needed that make the drug discovery process of small-molecules more time and cost-efficient, and which allow to target previously undruggable target classes such as protein-protein interactions. Structure-based virtual screenings have become a leading contender in this context. In this review, we give an introduction to the foundations of structure-based virtual screenings, and survey their progress in the past few years. We outline key principles, recent success stories, new methods, available software, and promising future research directions. Virtual screenings have an enormous potential for the development of new small-molecule drugs, and are already starting to transform early-stage drug discovery.

Semiconductor lasers have been rapidly evolving to meet the demands of next-generation optical networks. This imposes much more stringent requirements on the laser reliability, which are dominated by degradation mechanisms (e.g., sudden degradation) limiting the semiconductor laser lifetime. Physics-based approaches are often used to characterize the degradation behavior analytically, yet explicit domain knowledge and accurate mathematical models are required. Building such models can be very challenging due to a lack of a full understanding of the complex physical processes inducing the degradation under various operating conditions. To overcome the aforementioned limitations, we propose a new data-driven approach, extracting useful insights from the operational monitored data to predict the degradation trend without requiring any specific knowledge or using any physical model. The proposed approach is based on an unsupervised technique, a conditional variational autoencoder, and validated using vertical-cavity surface-emitting laser (VCSEL) and tunable edge emitting laser reliability data. The experimental results confirm that our model (i) achieves a good degradation prediction and generalization performance by yielding an F1 score of 95.3%, (ii) outperforms several baseline ML based anomaly detection techniques, and (iii) helps to shorten the aging tests by early predicting the failed devices before the end of the test and thereby saving costs

Designing agents, capable of learning autonomously a wide range of skills is critical in order to increase the scope of reinforcement learning. It will both increase the diversity of learned skills and reduce the burden of manually designing reward functions for each skill. Self-supervised agents, setting their own goals, and trying to maximize the diversity of those goals have shown great promise towards this end. However, a currently known limitation of agents trying to maximize the diversity of sampled goals is that they tend to get attracted to noise or more generally to parts of the environments that cannot be controlled (distractors). When agents have access to predefined goal features or expert knowledge, absolute Learning Progress (ALP) provides a way to distinguish between regions that can be controlled and those that cannot. However, those methods often fall short when the agents are only provided with raw sensory inputs such as images. In this work we extend those concepts to unsupervised image-based goal exploration. We propose a framework that allows agents to autonomously identify and ignore noisy distracting regions while searching for novelty in the learnable regions to both improve overall performance and avoid catastrophic forgetting. Our framework can be combined with any state-of-the-art novelty seeking goal exploration approaches. We construct a rich 3D image based environment with distractors. Experiments on this environment show that agents using our framework successfully identify interesting regions of the environment, resulting in drastically improved performances. The source code is available at https://sites.google.com/view/grimgep.

Machine learning models rely on various assumptions to attain high accuracy. One of the preliminary assumptions of these models is the independent and identical distribution, which suggests that the train and test data are sampled from the same distribution. However, this assumption seldom holds in the real world due to distribution shifts. As a result models that rely on this assumption exhibit poor generalization capabilities. Over the recent years, dedicated efforts have been made to improve the generalization capabilities of these models collectively known as -- \textit{domain generalization methods}. The primary idea behind these methods is to identify stable features or mechanisms that remain invariant across the different distributions. Many generalization approaches employ causal theories to describe invariance since causality and invariance are inextricably intertwined. However, current surveys deal with the causality-aware domain generalization methods on a very high-level. Furthermore, we argue that it is possible to categorize the methods based on how causality is leveraged in that method and in which part of the model pipeline is it used. To this end, we categorize the causal domain generalization methods into three categories, namely, (i) Invariance via Causal Data Augmentation methods which are applied during the data pre-processing stage, (ii) Invariance via Causal representation learning methods that are utilized during the representation learning stage, and (iii) Invariance via Transferring Causal mechanisms methods that are applied during the classification stage of the pipeline. Furthermore, this survey includes in-depth insights into benchmark datasets and code repositories for domain generalization methods. We conclude the survey with insights and discussions on future directions.

Feature selection is of great importance in Machine Learning, where it can be used to reduce the dimensionality of classification, ranking and prediction problems. The removal of redundant and noisy features can improve both the accuracy and scalability of the trained models. However, feature selection is a computationally expensive task with a solution space that grows combinatorically. In this work, we consider in particular a quadratic feature selection problem that can be tackled with the Quantum Approximate Optimization Algorithm (QAOA), already employed in combinatorial optimization. First we represent the feature selection problem with the QUBO formulation, which is then mapped to an Ising spin Hamiltonian. Then we apply QAOA with the goal of finding the ground state of this Hamiltonian, which corresponds to the optimal selection of features. In our experiments, we consider seven different real-world datasets with dimensionality up to 21 and run QAOA on both a quantum simulator and, for small datasets, the 7-qubit IBM (ibm-perth) quantum computer. We use the set of selected features to train a classification model and evaluate its accuracy. Our analysis shows that it is possible to tackle the feature selection problem with QAOA and that currently available quantum devices can be used effectively. Future studies could test a wider range of classification models as well as improve the effectiveness of QAOA by exploring better performing optimizers for its classical step.

Saliency methods compute heat maps that highlight portions of an input that were most {\em important} for the label assigned to it by a deep net. Evaluations of saliency methods convert this heat map into a new {\em masked input} by retaining the $k$ highest-ranked pixels of the original input and replacing the rest with \textquotedblleft uninformative\textquotedblright\ pixels, and checking if the net's output is mostly unchanged. This is usually seen as an {\em explanation} of the output, but the current paper highlights reasons why this inference of causality may be suspect. Inspired by logic concepts of {\em completeness \& soundness}, it observes that the above type of evaluation focuses on completeness of the explanation, but ignores soundness. New evaluation metrics are introduced to capture both notions, while staying in an {\em intrinsic} framework -- i.e., using the dataset and the net, but no separately trained nets, human evaluations, etc. A simple saliency method is described that matches or outperforms prior methods in the evaluations. Experiments also suggest new intrinsic justifications, based on soundness, for popular heuristic tricks such as TV regularization and upsampling.

The use of supervised Machine Learning (ML) to enhance Intrusion Detection Systems has been the subject of significant research. Supervised ML is based upon learning by example, demanding significant volumes of representative instances for effective training and the need to re-train the model for every unseen cyber-attack class. However, retraining the models in-situ renders the network susceptible to attacks owing to the time-window required to acquire a sufficient volume of data. Although anomaly detection systems provide a coarse-grained defence against unseen attacks, these approaches are significantly less accurate and suffer from high false-positive rates. Here, a complementary approach referred to as 'One-Shot Learning', whereby a limited number of examples of a new attack-class is used to identify a new attack-class (out of many) is detailed. The model grants a new cyber-attack classification without retraining. A Siamese Network is trained to differentiate between classes based on pairs similarities, rather than features, allowing to identify new and previously unseen attacks. The performance of a pre-trained model to classify attack-classes based only on one example is evaluated using three datasets. Results confirm the adaptability of the model in classifying unseen attacks and the trade-off between performance and the need for distinctive class representation.

Hyperspectral pixel intensities result from a mixing of reflectances from several materials. This paper develops a method of hyperspectral pixel {\it unmixing} that aims to recover the "pure" spectral signal of each material (hereafter referred to as {\it endmembers}) together with the mixing ratios ({\it abundances}) given the spectrum of a single pixel. The unmixing problem is particularly relevant in the case of low-resolution hyperspectral images captured in a remote sensing setting, where individual pixels can cover large regions of the scene. Under the assumptions that (1) a multivariate Normal distribution can represent the spectra of an endmember and (2) a Dirichlet distribution can encode abundances of different endmembers, we develop a Latent Dirichlet Variational Autoencoder for hyperspectral pixel unmixing. Our approach achieves state-of-the-art results on standard benchmarks and on synthetic data generated using United States Geological Survey spectral library.

Signature-based malware detectors have proven to be insufficient as even a small change in malignant executable code can bypass these signature-based detectors. Many machine learning-based models have been proposed to efficiently detect a wide variety of malware. Many of these models are found to be susceptible to adversarial attacks - attacks that work by generating intentionally designed inputs that can force these models to misclassify. Our work aims to explore vulnerabilities in the current state of the art malware detectors to adversarial attacks. We train a Transformers-based malware detector, carry out adversarial attacks resulting in a misclassification rate of 23.9% and propose defenses that reduce this misclassification rate to half. An implementation of our work can be found at https://github.com/yashjakhotiya/Adversarial-Attacks-On-Transformers.

Compared with network datasets, multi-dimensional data are much more common nowadays. If we can model multi-dimensional datasets into networks with accurate network properties, while, in the meantime, preserving the original dataset features, we can not only explore the dataset dynamic but also acquire abundant synthetic network data. This paper proposed a fast scale-free network model for large-scale multi-dimensional data not limited to the network domain. The proposed network model is dynamic and able to generate scale-free graphs within linear time regardless of the scale or field of the modeled dataset. We further argued that in a dynamic network where edge-generation probability represents influence, as the network evolves, that influence also decays. We demonstrated how this influence decay phenomenon is reflected in our model and provided a case study using the Global Terrorism Database.

Machine learning driven image-based controllers allow robotic systems to take intelligent actions based on the visual feedback from their environment. Understanding when these controllers might lead to system safety violations is important for their integration in safety-critical applications and engineering corrective safety measures for the system. Existing methods leverage simulation-based testing (or falsification) to find the failures of vision-based controllers, i.e., the visual inputs that lead to closed-loop safety violations. However, these techniques do not scale well to the scenarios involving high-dimensional and complex visual inputs, such as RGB images. In this work, we cast the problem of finding closed-loop vision failures as a Hamilton-Jacobi (HJ) reachability problem. Our approach blends simulation-based analysis with HJ reachability methods to compute an approximation of the backward reachable tube (BRT) of the system, i.e., the set of unsafe states for the system under vision-based controllers. Utilizing the BRT, we can tractably and systematically find the system states and corresponding visual inputs that lead to closed-loop failures. These visual inputs can be subsequently analyzed to find the input characteristics that might have caused the failure. Besides its scalability to high-dimensional visual inputs, an explicit computation of BRT allows the proposed approach to capture non-trivial system failures that are difficult to expose via random simulations. We demonstrate our framework on two case studies involving an RGB image-based neural network controller for (a) autonomous indoor navigation, and (b) autonomous aircraft taxiing.

Only increasing accuracy without considering uncertainty may negatively impact Deep Neural Network (DNN) decision-making and decrease its reliability. This paper proposes five combined preprocessing and post-processing methods for time-series binary classification problems that simultaneously increase the accuracy and reliability of DNN outputs applied in a 5G UAV security dataset. These techniques use DNN outputs as input parameters and process them in different ways. Two methods use a well-known Machine Learning (ML) algorithm as a complement, and the other three use only confidence values that the DNN estimates. We compare seven different metrics, such as the Expected Calibration Error (ECE), Maximum Calibration Error (MCE), Mean Confidence (MC), Mean Accuracy (MA), Normalized Negative Log Likelihood (NLL), Brier Score Loss (BSL), and Reliability Score (RS) and the tradeoffs between them to evaluate the proposed hybrid algorithms. First, we show that the eXtreme Gradient Boosting (XGB) classifier might not be reliable for binary classification under the conditions this work presents. Second, we demonstrate that at least one of the potential methods can achieve better results than the classification in the DNN softmax layer. Finally, we show that the prospective methods may improve accuracy and reliability with better uncertainty calibration based on the assumption that the RS determines the difference between MC and MA metrics, and this difference should be zero to increase reliability. For example, Method 3 presents the best RS of 0.65 even when compared to the XGB classifier, which achieves RS of 7.22.

User-specific future activity prediction in the healthcare domain based on previous activities can drastically improve the services provided by the nurses. It is challenging because, unlike other domains, activities in healthcare involve both nurses and patients, and they also vary from hour to hour. In this paper, we employ various data processing techniques to organize and modify the data structure and an LSTM-based multi-label classifier for a novel 2-stage training approach (user-agnostic pre-training and user-specific fine-tuning). Our experiment achieves a validation accuracy of 31.58\%, precision 57.94%, recall 68.31%, and F1 score 60.38%. We concluded that proper data pre-processing and a 2-stage training process resulted in better performance. This experiment is a part of the "Fourth Nurse Care Activity Recognition Challenge" by our team "Not A Fan of Local Minima".

Traffic state prediction in a transportation network is paramount for effective traffic operations and management, as well as informed user and system-level decision-making. However, long-term traffic prediction (beyond 30 minutes into the future) remains challenging in current research. In this work, we integrate the spatio-temporal dependencies in the transportation network from network modeling, together with the graph convolutional network (GCN) and graph attention network (GAT). To further tackle the dramatic computation and memory cost caused by the giant model size (i.e., number of weights) caused by multiple cascaded layers, we propose sparse training to mitigate the training cost, while preserving the prediction accuracy. It is a process of training using a fixed number of nonzero weights in each layer in each iteration. We consider the problem of long-term traffic speed forecasting for a real large-scale transportation network data from the California Department of Transportation (Caltrans) Performance Measurement System (PeMS). Experimental results show that the proposed GCN-STGT and GAT-STGT models achieve low prediction errors on short-, mid- and long-term prediction horizons, of 15, 30 and 45 minutes in duration, respectively. Using our sparse training, we could train from scratch with high sparsity (e.g., up to 90%), equivalent to 10 times floating point operations per second (FLOPs) reduction on computational cost using the same epochs as dense training, and arrive at a model with very small accuracy loss compared with the original dense training

Federated Learning (FL) and Split Learning (SL) are privacy-preserving Machine-Learning (ML) techniques that enable training ML models over data distributed among clients without requiring direct access to their raw data. Existing FL and SL approaches work on horizontally or vertically partitioned data and cannot handle sequentially partitioned data where segments of multiple-segment sequential data are distributed across clients. In this paper, we propose a novel federated split learning framework, FedSL, to train models on distributed sequential data. The most common ML models to train on sequential data are Recurrent Neural Networks (RNNs). Since the proposed framework is privacy-preserving, segments of multiple-segment sequential data cannot be shared between clients or between clients and server. To circumvent this limitation, we propose a novel SL approach tailored for RNNs. A RNN is split into sub-networks, and each sub-network is trained on one client containing single segments of multiple-segment training sequences. During local training, the sub-networks on different clients communicate with each other to capture latent dependencies between consecutive segments of multiple-segment sequential data on different clients, but without sharing raw data or complete model parameters. After training local sub-networks with local sequential data segments, all clients send their sub-networks to a federated server where sub-networks are aggregated to generate a global model. The experimental results on simulated and real-world datasets demonstrate that the proposed method successfully trains models on distributed sequential data, while preserving privacy, and outperforms previous FL and centralized learning approaches in terms of achieving higher accuracy in fewer communication rounds.

The Bayesian approach to solving inverse problems relies on the choice of a prior. This critical ingredient allows the formulation of expert knowledge or physical constraints in a probabilistic fashion and plays an important role for the success of the inference. Recently, Bayesian inverse problems were solved using generative models as highly informative priors. Generative models are a popular tool in machine learning to generate data whose properties closely resemble those of a given database. Typically, the generated distribution of data is embedded in a low-dimensional manifold. For the inverse problem, a generative model is trained on a database that reflects the properties of the sought solution, such as typical structures of the tissue in the human brain in magnetic resonance (MR) imaging. The inference is carried out in the low-dimensional manifold determined by the generative model which strongly reduces the dimensionality of the inverse problem. However, this proceeding produces a posterior that admits no Lebesgue density in the actual variables and the accuracy reached can strongly depend on the quality of the generative model. For linear Gaussian models we explore an alternative Bayesian inference based on probabilistic generative models which is carried out in the original high-dimensional space. A Laplace approximation is employed to analytically derive the required prior probability density function induced by the generative model. Properties of the resulting inference are investigated. Specifically, we show that derived Bayes estimates are consistent, in contrast to the approach employing the low-dimensional manifold of the generative model. The MNIST data set is used to construct numerical experiments which confirm our theoretical findings.

Assessment of model fitness is a key part of machine learning. The standard paradigm is to learn models by minimizing a chosen loss function averaged over training data, with the aim of achieving small losses on future data. In this paper, we consider the use of a finite calibration data set to characterize the future, out-of-sample losses of a model. We propose a simple model diagnostic tool that provides finite-sample guarantees under weak assumptions. The tool is simple to compute and to interpret. Several numerical experiments are presented to show how the proposed method quantifies the impact of distribution shifts, aids the analysis of regression, and enables model selection as well as hyper-parameter tuning.

Recent studies have revealed the intriguing few-shot learning ability of pretrained language models (PLMs): They can quickly adapt to a new task when fine-tuned on a small amount of labeled data formulated as prompts, without requiring abundant task-specific annotations. Despite their promising performance, most existing few-shot approaches that only learn from the small training set still underperform fully supervised training by nontrivial margins. In this work, we study few-shot learning with PLMs from a different perspective: We first tune an autoregressive PLM on the few-shot samples and then use it as a generator to synthesize a large amount of novel training samples which augment the original training set. To encourage the generator to produce label-discriminative samples, we train it via weighted maximum likelihood where the weight of each token is automatically adjusted based on a discriminative meta-learning objective. A classification PLM can then be fine-tuned on both the few-shot and the synthetic samples with regularization for better generalization and stability. Our approach FewGen achieves an overall better result across seven classification tasks of the GLUE benchmark than existing few-shot learning methods, improving no-augmentation methods by 5+ average points, and outperforming augmentation methods by 3+ average points.

Recently, studies on machine learning have focused on methods that use symmetry implicit in a specific manifold as an inductive bias. In particular, approaches using Grassmann manifolds have been found to exhibit effective performance in fields such as point cloud and image set analysis. However, there is a lack of research on the construction of general learning models to learn distributions on the Grassmann manifold. In this paper, we lay the theoretical foundations for learning distributions on the Grassmann manifold via continuous normalizing flows. Experimental results show that the proposed method can generate high-quality samples by capturing the data structure. Further, the proposed method significantly outperformed state-of-the-art methods in terms of log-likelihood or evidence lower bound. The results obtained are expected to usher in further research in this field of study.

Data augmentation is a valuable tool for the design of deep learning systems to overcome data limitations and stabilize the training process. Especially in the medical domain, where the collection of large-scale data sets is challenging and expensive due to limited access to patient data, relevant environments, as well as strict regulations, community-curated large-scale public datasets, pretrained models, and advanced data augmentation methods are the main factors for developing reliable systems to improve patient care. However, for the development of medical acoustic sensing systems, an emerging field of research, the community lacks large-scale publicly available data sets and pretrained models. To address the problem of limited data, we propose a conditional generative adversarial neural network-based augmentation method which is able to synthesize mel spectrograms from a learned data distribution of a source data set. In contrast to previously proposed fully convolutional models, the proposed model implements residual Squeeze and Excitation modules in the generator architecture. We show that our method outperforms all classical audio augmentation techniques and previously published generative methods in terms of generated sample quality and a performance improvement of 2.84% of Macro F1-Score for a classifier trained on the augmented data set, an enhancement of $1.14\%$ in relation to previous work. By analyzing the correlation of intermediate feature spaces, we show that the residual Squeeze and Excitation modules help the model to reduce redundancy in the latent features. Therefore, the proposed model advances the state-of-the-art in the augmentation of clinical audio data and improves the data bottleneck for the design of clinical acoustic sensing systems.

Network-based analyses of dynamical systems have become increasingly popular in climate science. Here we address network construction from a statistical perspective and highlight the often ignored fact that the calculated correlation values are only empirical estimates. To measure spurious behaviour as deviation from a ground truth network, we simulate time-dependent isotropic random fields on the sphere and apply common network construction techniques. We find several ways in which the uncertainty stemming from the estimation procedure has major impact on network characteristics. When the data has locally coherent correlation structure, spurious link bundle teleconnections and spurious high-degree clusters have to be expected. Anisotropic estimation variance can also induce severe biases into empirical networks. We validate our findings with ERA5 reanalysis data. Moreover we explain why commonly applied resampling procedures are inappropriate for significance evaluation and propose a statistically more meaningful ensemble construction framework. By communicating which difficulties arise in estimation from scarce data and by presenting which design decisions increase robustness, we hope to contribute to more reliable climate network construction in the future.

Reinforcementlearning(RL)folkloresuggeststhathistory-basedfunctionapproximationmethods,suchas recurrent neural nets or history-based state abstraction, perform better than their memory-less counterparts, due to the fact that function approximation in Markov decision processes (MDP) can be viewed as inducing a Partially observable MDP. However, there has been little formal analysis of such history-based algorithms, as most existing frameworks focus exclusively on memory-less features. In this paper, we introduce a theoretical framework for studying the behaviour of RL algorithms that learn to control an MDP using history-based feature abstraction mappings. Furthermore, we use this framework to design a practical RL algorithm and we numerically evaluate its effectiveness on a set of continuous control tasks.

Projection robust Wasserstein (PRW) distance, or Wasserstein projection pursuit (WPP), is a robust variant of the Wasserstein distance. Recent work suggests that this quantity is more robust than the standard Wasserstein distance, in particular when comparing probability measures in high-dimensions. However, it is ruled out for practical application because the optimization model is essentially non-convex and non-smooth which makes the computation intractable. Our contribution in this paper is to revisit the original motivation behind WPP/PRW, but take the hard route of showing that, despite its non-convexity and lack of nonsmoothness, and even despite some hardness results proved by~\citet{Niles-2019-Estimation} in a minimax sense, the original formulation for PRW/WPP \textit{can} be efficiently computed in practice using Riemannian optimization, yielding in relevant cases better behavior than its convex relaxation. More specifically, we provide three simple algorithms with solid theoretical guarantee on their complexity bound (one in the appendix), and demonstrate their effectiveness and efficiency by conducing extensive experiments on synthetic and real data. This paper provides a first step into a computational theory of the PRW distance and provides the links between optimal transport and Riemannian optimization.

Appearance-based gaze estimation has been very successful with the use of deep learning. Many following works improved domain generalization for gaze estimation. However, even though there has been much progress in domain generalization for gaze estimation, most of the recent work have been focused on cross-dataset performance -- accounting for different distributions in illuminations, head pose, and lighting. Although improving gaze estimation in different distributions of RGB images is important, near-infrared image based gaze estimation is also critical for gaze estimation in dark settings. Also there are inherent limitations relying solely on supervised learning for regression tasks. This paper contributes to solving these problems and proposes GazeCWL, a novel framework for gaze estimation with near-infrared images using contrastive learning. This leverages adversarial attack techniques for data augmentation and a novel contrastive loss function specifically for regression tasks that effectively clusters the features of different samples in the latent space. Our model outperforms previous domain generalization models in infrared image based gaze estimation and outperforms the baseline by 45.6\% while improving the state-of-the-art by 8.6\%, we demonstrate the efficacy of our method.

We introduce a class of first-order methods for smooth constrained optimization that are based on an analogy to non-smooth dynamical systems. Two distinctive features of our approach are that (i) projections or optimizations over the entire feasible set are avoided, in stark contrast to projected gradient methods or the Frank-Wolfe method, and (ii) iterates are allowed to become infeasible, which differs from active set or feasible direction methods, where the descent motion stops as soon as a new constraint is encountered. The resulting algorithmic procedure is simple to implement even when constraints are nonlinear, and is suitable for large-scale constrained optimization problems in which the feasible set fails to have a simple structure. The key underlying idea is that constraints are expressed in terms of velocities instead of positions, which has the algorithmic consequence that optimizations over feasible sets at each iteration are replaced with optimizations over local, sparse convex approximations. In particular, this means that at each iteration only constraints that are violated are taken into account. The result is a simplified suite of algorithms and an expanded range of possible applications in machine learning.

This paper studies the expressive power of artificial neural networks with rectified linear units. In order to study them as a model of real-valued computation, we introduce the concept of Max-Affine Arithmetic Programs and show equivalence between them and neural networks concerning natural complexity measures. We then use this result to show that two fundamental combinatorial optimization problems can be solved with polynomial-size neural networks. First, we show that for any undirected graph with $n$ nodes, there is a neural network (with fixed weights and biases) of size $\mathcal{O}(n^3)$ that takes the edge weights as input and computes the value of a minimum spanning tree of the graph. Second, we show that for any directed graph with $n$ nodes and $m$ arcs, there is a neural network of size $\mathcal{O}(m^2n^2)$ that takes the arc capacities as input and computes a maximum flow. Our results imply that these two problems can be solved with strongly polynomial time algorithms that solely uses affine transformations and maxima computations, but no comparison-based branchings.  ( 2 min )

As the demand for user privacy grows, controlled data removal (machine unlearning) is becoming an important feature of machine learning models for data-sensitive Web applications such as social networks and recommender systems. Nevertheless, at this point it is still largely unknown how to perform efficient machine unlearning of graph neural networks (GNNs); this is especially the case when the number of training samples is small, in which case unlearning can seriously compromise the performance of the model. To address this issue, we initiate the study of unlearning the Graph Scattering Transform (GST), a mathematical framework that is efficient, provably stable under feature or graph topology perturbations, and offers graph classification performance comparable to that of GNNs. Our main contribution is the first known nonlinear approximate graph unlearning method based on GSTs. Our second contribution is a theoretical analysis of the computational complexity of the proposed unlearning mechanism, which is hard to replicate for deep neural networks. Our third contribution are extensive simulation results which show that, compared to complete retraining of GNNs after each removal request, the new GST-based approach offers, on average, a $10.38$x speed-up and leads to a $2.6$% increase in test accuracy during unlearning of $90$ out of $100$ training graphs from the IMDB dataset ($10$% training ratio).

Missing data is a common concern in health datasets, and its impact on good decision-making processes is well documented. Our study's contribution is a methodology for tackling missing data problems using a combination of synthetic dataset generation, missing data imputation and deep learning methods to resolve missing data challenges. Specifically, we conducted a series of experiments with these objectives; $a)$ generating a realistic synthetic dataset, $b)$ simulating data missingness, $c)$ recovering the missing data, and $d)$ analyzing imputation performance. Our methodology used a gaussian mixture model whose parameters were learned from a cleaned subset of a real demographic and health dataset to generate the synthetic data. We simulated various missingness degrees ranging from $10 \%$, $20 \%$, $30 \%$, and $40\%$ under the missing completely at random scheme MCAR. We used an integrated performance analysis framework involving clustering, classification and direct imputation analysis. Our results show that models trained on synthetic and imputed datasets could make predictions with an accuracy of $83 \%$ and $80 \%$ on $a) $ an unseen real dataset and $b)$ an unseen reserved synthetic test dataset, respectively. Moreover, the models that used the DAE method for imputed yielded the lowest log loss an indication of good performance, even though the accuracy measures were slightly lower. In conclusion, our work demonstrates that using our methodology, one can reverse engineer a solution to resolve missingness on an unseen dataset with missingness. Moreover, though we used a health dataset, our methodology can be utilized in other contexts.

This paper presents a novel probabilistic forecasting method called ensemble conformalized quantile regression (EnCQR). EnCQR constructs distribution-free and approximately marginally valid prediction intervals (PIs), which are suitable for nonstationary and heteroscedastic time series data. EnCQR can be applied on top of a generic forecasting model, including deep learning architectures. EnCQR exploits a bootstrap ensemble estimator, which enables the use of conformal predictors for time series by removing the requirement of data exchangeability. The ensemble learners are implemented as generic machine learning algorithms performing quantile regression, which allow the length of the PIs to adapt to local variability in the data. In the experiments, we predict time series characterized by a different amount of heteroscedasticity. The results demonstrate that EnCQR outperforms models based only on quantile regression or conformal prediction, and it provides sharper, more informative, and valid PIs.  ( 2 min )

The link with exponential families has allowed $k$-means clustering to be generalized to a wide variety of data generating distributions in exponential families and clustering distortions among Bregman divergences. Getting the framework to work above exponential families is important to lift roadblocks like the lack of robustness of some population minimizers carved in their axiomatization. Current generalisations of exponential families like $q$-exponential families or even deformed exponential families fail at achieving the goal. In this paper, we provide a new attempt at getting the complete framework, grounded in a new generalisation of exponential families that we introduce, tempered exponential measures (TEM). TEMs keep the maximum entropy axiomatization framework of $q$-exponential families, but instead of normalizing the measure, normalize a dual called a co-distribution. Numerous interesting properties arise for clustering such as improved and controllable robustness for population minimizers, that keep a simple analytic form.  ( 2 min )

Purpose: Hard-to-interpret Black-box Machine Learning (ML) were often used for early Alzheimer's Disease (AD) detection. Methods: To interpret eXtreme Gradient Boosting (XGBoost), Random Forest (RF), and Support Vector Machine (SVM) black-box models a workflow based on Shapley values was developed. All models were trained on the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset and evaluated for an independent ADNI test set, as well as the external Australian Imaging and Lifestyle flagship study of Ageing (AIBL), and Open Access Series of Imaging Studies (OASIS) datasets. Shapley values were compared to intuitively interpretable Decision Trees (DTs), and Logistic Regression (LR), as well as natural and permutation feature importances. To avoid the reduction of the explanation validity caused by correlated features, forward selection and aspect consolidation were implemented. Results: Some black-box models outperformed DTs and LR. The forward-selected features correspond to brain areas previously associated with AD. Shapley values identified biologically plausible associations with moderate to strong correlations with feature importances. The most important RF features to predict AD conversion were the volume of the amygdalae, and a cognitive test score. Good cognitive test performances and large brain volumes decreased the AD risk. The models trained using cognitive test scores significantly outperformed brain volumetric models ($p<0.05$). Cognitive Normal (CN) vs. AD models were successfully transferred to external datasets. Conclusion: In comparison to previous work, improved performances for ADNI and AIBL were achieved for CN vs. Mild Cognitive Impairment (MCI) classification using brain volumes. The Shapley values and the feature importances showed moderate to strong correlations.

Recently, deep learning has been an area of intense research. However, as a kind of computing-intensive task, deep learning highly relies on the scale of GPU memory, which is usually prohibitive and scarce. Although some extensive works have been proposed for dynamic GPU memory management, they are hard to apply to systems with multiple dynamic workloads, such as in-database machine learning systems. In this paper, we demonstrated TENSILE, a method of managing GPU memory in tensor granularity to reduce the GPU memory peak, considering the multiple dynamic workloads. TENSILE tackled the cold-starting and across-iteration scheduling problem existing in previous works. We implemented TENSILE on a deep learning framework built by ourselves and evaluated its performance. The experiment results show that TENSILE can save more GPU memory with less extra overhead than prior works in single and multiple dynamic workloads scenarios.  ( 2 min )

Time Series Forecasting has been an active area of research due to its many applications ranging from network usage prediction, resource allocation, anomaly detection, and predictive maintenance. Numerous publications published in the last five years have proposed diverse sets of objective loss functions to address cases such as biased data, long-term forecasting, multicollinear features, etc. In this paper, we have summarized 14 well-known regression loss functions commonly used for time series forecasting and listed out the circumstances where their application can aid in faster and better model convergence. We have also demonstrated how certain categories of loss functions perform well across all data sets and can be considered as a baseline objective function in circumstances where the distribution of the data is unknown. Our code is available at GitHub: https://github.com/aryan-jadon/Regression-Loss-Functions-in-Time-Series-Forecasting-Tensorflow.  ( 2 min )

In fighting games, individual players of the same skill level often exhibit distinct strategies from one another through their gameplay. Despite this, the majority of AI agents for fighting games have only a single strategy for each "level" of difficulty. To make AI opponents more human-like, we'd ideally like to see multiple different strategies at each level of difficulty, a concept we refer to as "multidimensional" difficulty. In this paper, we introduce a diversity-based deep reinforcement learning approach for generating a set of agents of similar difficulty that utilize diverse strategies. We find this approach outperforms a baseline trained with specialized, human-authored reward functions in both diversity and performance.

A backdoor attack places triggers in victims' deep learning models to enable a targeted misclassification at testing time. In general, triggers are fixed artifacts attached to samples, making backdoor attacks easy to spot. Only recently, a new trigger generation harder to detect has been proposed: the stylistic triggers that apply stylistic transformations to the input samples (e.g., a specific writing style). Currently, stylistic backdoor literature lacks a proper formalization of the attack, which is established in this paper. Moreover, most studies of stylistic triggers focus on text and images, while there is no understanding of whether they can work in sound. This work fills this gap. We propose JingleBack, the first stylistic backdoor attack based on audio transformations such as chorus and gain. Using 444 models in a speech classification task, we confirm the feasibility of stylistic triggers in audio, achieving 96% attack success.  ( 2 min )

Shape modelling (with methods that output shapes) is a new and important task in Bayesian nonparametrics and bioinformatics. In this work, we focus on Bayesian nonparametric methods for capturing shapes by partitioning a space using curves. In related work, the classical Mondrian process is used to partition spaces recursively with axis-aligned cuts, and is widely applied in multi-dimensional and relational data. The Mondrian process outputs hyper-rectangles. Recently, the random tessellation process was introduced as a generalization of the Mondrian process, partitioning a domain with non-axis aligned cuts in an arbitrary dimensional space, and outputting polytopes. Motivated by these processes, in this work, we propose a novel parallelized Bayesian nonparametric approach to partition a domain with curves, enabling complex data-shapes to be acquired. We apply our method to HIV-1-infected human macrophage image dataset, and also simulated datasets sets to illustrate our approach. We compare to support vector machines, random forests and state-of-the-art computer vision methods such as simple linear iterative clustering super pixel image segmentation. We develop an R package that is available at \url{https://github.com/ShufeiGe/Shape-Modeling-with-Spline-Partitions}.  ( 2 min )

Recent studies on adversarial images have shown that they tend to leave the underlying low-dimensional data manifold, making them significantly more challenging for current models to make correct predictions. This so-called off-manifold conjecture has inspired a novel line of defenses against adversarial attacks on images. In this study, we find a similar phenomenon occurs in the contextualized embedding space induced by pretrained language models, in which adversarial texts tend to have their embeddings diverge from the manifold of natural ones. Based on this finding, we propose Textual Manifold-based Defense (TMD), a defense mechanism that projects text embeddings onto an approximated embedding manifold before classification. It reduces the complexity of potential adversarial examples, which ultimately enhances the robustness of the protected model. Through extensive experiments, our method consistently and significantly outperforms previous defenses under various attack settings without trading off clean accuracy. To the best of our knowledge, this is the first NLP defense that leverages the manifold structure against adversarial attacks. Our code is available at \url{https://github.com/dangne/tmd}.  ( 2 min )

Labelling a large quantity of social media data for the task of supervised machine learning is not only time-consuming but also difficult and expensive. On the other hand, the accuracy of supervised machine learning models is strongly related to the quality of the labelled data on which they train, and automatic sentiment labelling techniques could reduce the time and cost of human labelling. We have compared three automatic sentiment labelling techniques: TextBlob, Vader, and Afinn to assign sentiments to tweets without any human assistance. We compare three scenarios: one uses training and testing datasets with existing ground truth labels; the second experiment uses automatic labels as training and testing datasets; and the third experiment uses three automatic labelling techniques to label the training dataset and uses the ground truth labels for testing. The experiments were evaluated on two Twitter datasets: SemEval-2013 (DS-1) and SemEval-2016 (DS-2). Results show that the Afinn labelling technique obtains the highest accuracy of 80.17% (DS-1) and 80.05% (DS-2) using a BiLSTM deep learning model. These findings imply that automatic text labelling could provide significant benefits, and suggest a feasible alternative to the time and cost of human labelling efforts.  ( 2 min )

Fact verification has attracted a lot of research attention recently, e.g., in journalism, marketing, and policymaking, as misinformation and disinformation online can sway one's opinion and affect one's actions. While fact-checking is a hard task in general, in many cases, false statements can be easily debunked based on analytics over tables with reliable information. Hence, table-based fact verification has recently emerged as an important and growing research area. Yet, progress has been limited due to the lack of datasets that can be used to pre-train language models (LMs) to be aware of common table operations, such as aggregating a column or comparing tuples. To bridge this gap, in this paper we introduce PASTA, a novel state-of-the-art framework for table-based fact verification via pre-training with synthesized sentence-table cloze questions. In particular, we design six types of common sentence-table cloze tasks, including Filter, Aggregation, Superlative, Comparative, Ordinal, and Unique, based on which we synthesize a large corpus consisting of 1.2 million sentence-table pairs from WikiTables. PASTA uses a recent pre-trained LM, DeBERTaV3, and further pretrains it on our corpus. Our experimental results show that PASTA achieves new state-of-the-art performance on two table-based fact verification benchmarks: TabFact and SEM-TAB-FACTS. In particular, on the complex set of TabFact, which contains multiple operations, PASTA largely outperforms the previous state of the art by 4.7 points (85.6% vs. 80.9%), and the gap between PASTA and human performance on the small TabFact test set is narrowed to just 1.5 points (90.6% vs. 92.1%).  ( 3 min )

Providing accurate estimated time of package delivery on users' purchasing pages for e-commerce platforms is of great importance to their purchasing decisions and post-purchase experiences. Although this problem shares some common issues with the conventional estimated time of arrival (ETA), it is more challenging with the following aspects: 1) Inductive inference. Models are required to predict ETA for orders with unseen retailers and addresses; 2) High-order interaction of order semantic information. Apart from the spatio-temporal features, the estimated time also varies greatly with other factors, such as the packaging efficiency of retailers, as well as the high-order interaction of these factors. In this paper, we propose an inductive graph transformer (IGT) that leverages raw feature information and structural graph data to estimate package delivery time. Different from previous graph transformer architectures, IGT adopts a decoupled pipeline and trains transformer as a regression function that can capture the multiplex information from both raw feature and dense embeddings encoded by a graph neural network (GNN). In addition, we further simplify the GNN structure by removing its non-linear activation and the learnable linear transformation matrix. The reduced parameter search space and linear information propagation in the simplified GNN enable the IGT to be applied in large-scale industrial scenarios. Experiments on real-world logistics datasets show that our proposed model can significantly outperform the state-of-the-art methods on estimation of delivery time. The source code is available at: https://github.com/enoche/IGT-WSDM23.  ( 3 min )

Gauge Theory plays a crucial role in many areas in science, including high energy physics, condensed matter physics and quantum information science. In quantum simulations of lattice gauge theory, an important step is to construct a wave function that obeys gauge symmetry. In this paper, we have developed gauge equivariant neural network wave function techniques for simulating continuous-variable quantum lattice gauge theories in the Hamiltonian formulation. We have applied the gauge equivariant neural network approach to find the ground state of 2+1-dimensional lattice gauge theory with U(1) gauge group using variational Monte Carlo. We have benchmarked our approach against the state-of-the-art complex Gaussian wave functions, demonstrating improved performance in the strong coupling regime and comparable results in the weak coupling regime.  ( 2 min )

Reward-free reinforcement learning (RF-RL), a recently introduced RL paradigm, relies on random action-taking to explore the unknown environment without any reward feedback information. While the primary goal of the exploration phase in RF-RL is to reduce the uncertainty in the estimated model with minimum number of trajectories, in practice, the agent often needs to abide by certain safety constraint at the same time. It remains unclear how such safe exploration requirement would affect the corresponding sample complexity in order to achieve the desired optimality of the obtained policy in planning. In this work, we make a first attempt to answer this question. In particular, we consider the scenario where a safe baseline policy is known beforehand, and propose a unified Safe reWard-frEe ExploraTion (SWEET) framework. We then particularize the SWEET framework to the tabular and the low-rank MDP settings, and develop algorithms coined Tabular-SWEET and Low-rank-SWEET, respectively. Both algorithms leverage the concavity and continuity of the newly introduced truncated value functions, and are guaranteed to achieve zero constraint violation during exploration with high probability. Furthermore, both algorithms can provably find a near-optimal policy subject to any constraint in the planning phase. Remarkably, the sample complexities under both algorithms match or even outperform the state of the art in their constraint-free counterparts up to some constant factors, proving that safety constraint hardly increases the sample complexity for RF-RL.  ( 3 min )

Modeling of turbulent combustion system requires modeling the underlying chemistry and the turbulent flow. Solving both systems simultaneously is computationally prohibitive. Instead, given the difference in scales at which the two sub-systems evolve, the two sub-systems are typically (re)solved separately. Popular approaches such as the Flamelet Generated Manifolds (FGM) use a two-step strategy where the governing reaction kinetics are pre-computed and mapped to a low-dimensional manifold, characterized by a few reaction progress variables (model reduction) and the manifold is then ``looked-up'' during the runtime to estimate the high-dimensional system state by the flow system. While existing works have focused on these two steps independently, in this work we show that joint learning of the progress variables and the look--up model, can yield more accurate results. We build on the base formulation and implementation ChemTab to include the dynamically generated Themochemical State Variables (Lower Dimensional Dynamic Source Terms). We discuss the challenges in the implementation of this deep neural network architecture and experimentally demonstrate it's superior performance.  ( 2 min )

Deep learning-based physical-layer secret key generation (PKG) has been used to overcome the imperfect uplink/downlink channel reciprocity in frequency division duplexing (FDD) orthogonal frequency division multiplexing (OFDM) systems. However, existing efforts have focused on key generation for users in a specific environment where the training samples and test samples obey the same distribution, which is unrealistic for real world applications. This paper formulates the PKG problem in multiple environments as a learning-based problem by learning the knowledge such as data and models from known environments to generate keys quickly and efficiently in multiple new environments. Specifically, we propose deep transfer learning (DTL) and meta-learning-based channel feature mapping algorithms for key generation. The two algorithms use different training methods to pre-train the model in the known environments, and then quickly adapt and deploy the model to new environments. Simulation results show that compared with the methods without adaptation, the DTL and meta-learning algorithms both can improve the performance of generated keys. In addition, the complexity analysis shows that the meta-learning algorithm can achieve better performance than the DTL algorithm with less time, lower CPU and GPU resources.  ( 2 min )

A reconstruction attack on a private dataset $D$ takes as input some publicly accessible information about the dataset and produces a list of candidate elements of $D$. We introduce a new class of data reconstruction attacks based on randomized methods for non-convex optimization. We empirically demonstrate that our attacks can not only reconstruct full rows of $D$ from aggregate query statistics $Q(D)\in \mathbb{R}^m$, but can do so in a way that reliably ranks reconstructed rows by their odds of appearing in the private data, providing a signature that could be used for prioritizing reconstructed rows for further actions such as identify theft or hate crime. We also design a sequence of baselines for evaluating reconstruction attacks. Our attacks significantly outperform those that are based only on access to a public distribution or population from which the private dataset $D$ was sampled, demonstrating that they are exploiting information in the aggregate statistics $Q(D)$, and not simply the overall structure of the distribution. In other words, the queries $Q(D)$ are permitting reconstruction of elements of this dataset, not the distribution from which $D$ was drawn. These findings are established both on 2010 U.S. decennial Census data and queries and Census-derived American Community Survey datasets. Taken together, our methods and experiments illustrate the risks in releasing numerically precise aggregate statistics of a large dataset, and provide further motivation for the careful application of provably private techniques such as differential privacy.

In a modern power system with an increasing proportion of renewable energy, wind power prediction is crucial to the arrangement of power grid dispatching plans due to the volatility of wind power. However, traditional centralized forecasting methods raise concerns regarding data privacy-preserving and data islands problem. To handle the data privacy and openness, we propose a forecasting scheme that combines federated learning and deep reinforcement learning (DRL) for ultra-short-term wind power forecasting, called federated deep reinforcement learning (FedDRL). Firstly, this paper uses the deep deterministic policy gradient (DDPG) algorithm as the basic forecasting model to improve prediction accuracy. Secondly, we integrate the DDPG forecasting model into the framework of federated learning. The designed FedDRL can obtain an accurate prediction model in a decentralized way by sharing model parameters instead of sharing private data which can avoid sensitive privacy issues. The simulation results show that the proposed FedDRL outperforms the traditional prediction methods in terms of forecasting accuracy. More importantly, while ensuring the forecasting performance, FedDRL can effectively protect the data privacy and relieve the communication pressure compared with the traditional centralized forecasting method. In addition, a simulation with different federated learning parameters is conducted to confirm the robustness of the proposed scheme.  ( 2 min )

High order structures (cavities and cliques) of the gene network of influenza A virus reveal tight associations among viruses during evolution and are key signals that indicate viral cross-species infection and cause pandemics. As indicators for sensing the dynamic changes of viral genes, these higher order structures have been the focus of attention in the field of virology. However, the size of the viral gene network is usually huge, and searching these structures in the networks introduces unacceptable delay. To mitigate this issue, in this paper, we propose a simple-yet-effective model named HyperSearch based on deep learning to search cavities in a computable complex network for influenza virus genetics. Extensive experiments conducted on a public influenza virus dataset demonstrate the effectiveness of HyperSearch over other advanced deep-learning methods without any elaborated model crafting. Moreover, HyperSearch can finish the search works in minutes while 0-1 programming takes days. Since the proposed method is simple and easy to be transferred to other complex networks, HyperSearch has the potential to facilitate the monitoring of dynamic changes in viral genes and help humans keep up with the pace of virus mutations.  ( 2 min )

Voice anti-spoofing systems are crucial auxiliaries for automatic speaker verification (ASV) systems. A major challenge is caused by unseen attacks empowered by advanced speech synthesis technologies. Our previous research on one-class learning has improved the generalization ability to unseen attacks by compacting the bona fide speech in the embedding space. However, such compactness lacks consideration of the diversity of speakers. In this work, we propose speaker attractor multi-center one-class learning (SAMO), which clusters bona fide speech around a number of speaker attractors and pushes away spoofing attacks from all the attractors in a high-dimensional embedding space. For training, we propose an algorithm for the co-optimization of bona fide speech clustering and bona fide/spoof classification. For inference, we propose strategies to enable anti-spoofing for speakers without enrollment. Our proposed system outperforms existing state-of-the-art single systems with a relative improvement of 38% on equal error rate (EER) on the ASVspoof2019 LA evaluation set.

Standard imitation learning can fail when the expert demonstrators have different sensory inputs than the imitating agent. This is because partial observability gives rise to hidden confounders in the causal graph. We break down the space of confounded imitation learning problems and identify three settings with different data requirements in which the correct imitation policy can be identified. We then introduce an algorithm for deconfounded imitation learning, which trains an inference model jointly with a latent-conditional policy. At test time, the agent alternates between updating its belief over the latent and acting under the belief. We show in theory and practice that this algorithm converges to the correct interventional policy, solves the confounding issue, and can under certain assumptions achieve an asymptotically optimal imitation performance.  ( 2 min )

Atrial fibrillation (AF) is the most common cardiac arrhythmia and associated with a higher risk for serious conditions like stroke. Long-term recording of the electrocardiogram (ECG) with wearable devices embedded with an automatic and timely evaluation of AF helps to avoid life-threatening situations. However, the use of a deep neural network for auto-analysis of ECG on wearable devices is limited by its complexity. In this work, we propose lightweight convolutional neural networks (CNNs) for AF detection inspired by the recently proposed parameterised hypercomplex (PH) neural networks. Specifically, the convolutional and fully-connected layers of a real-valued CNN are replaced by PH convolutions and multiplications, respectively. PH layers are flexible to operate in any channel dimension n and able to capture inter-channel relations. We evaluate PH-CNNs on publicly available databases of dynamic and in-hospital ECG recordings and show comparable performance to corresponding real-valued CNNs while using approx. $1/n$ model parameters.  ( 2 min )

Recently, machine learning (ML) has become a popular approach to support self-adaptation. ML has been used to deal with several problems in self-adaptation, such as maintaining an up-to-date runtime model under uncertainty and scalable decision-making. Yet, exploiting ML comes with inherent challenges. In this paper, we focus on a particularly important challenge for learning-based self-adaptive systems: drift in adaptation spaces. With adaptation space we refer to the set of adaptation options a self-adaptive system can select from at a given time to adapt based on the estimated quality properties of the adaptation options. Drift of adaptation spaces originates from uncertainties, affecting the quality properties of the adaptation options. Such drift may imply that eventually no adaptation option can satisfy the initial set of the adaptation goals, deteriorating the quality of the system, or adaptation options may emerge that allow enhancing the adaptation goals. In ML, such shift corresponds to novel class appearance, a type of concept drift in target data that common ML techniques have problems dealing with. To tackle this problem, we present a novel approach to self-adaptation that enhances learning-based self-adaptive systems with a lifelong ML layer. We refer to this approach as lifelong self-adaptation. The lifelong ML layer tracks the system and its environment, associates this knowledge with the current tasks, identifies new tasks based on differences, and updates the learning models of the self-adaptive system accordingly. A human stakeholder may be involved to support the learning process and adjust the learning and goal models. We present a reusable architecture for lifelong self-adaptation and apply it to the case of drift of adaptation spaces that affects the decision-making in self-adaptation. We validate the approach for a series of scenarios using the DeltaIoT exemplar.  ( 3 min )

One of the challenges for climbing gyms is to find out popular routes for the climbers to improve their services and optimally use their infrastructure. This problem must be addressed preserving both the privacy and convenience of the climbers and the costs of the gyms. To this aim, a hardware prototype is developed to collect data using accelerometer sensors attached to a piece of climbing equipment mounted on the wall, called quickdraw, that connects the climbing rope to the bolt anchors. The corresponding sensors are configured to be energy-efficient, hence becoming practical in terms of expenses and time consumption for replacement when used in large quantities in a climbing gym. This paper describes hardware specifications, studies data measured by the sensors in ultra-low power mode, detect patterns in data during climbing different routes, and develops an unsupervised approach for route clustering.  ( 2 min )

The electroencephalogram (EEG) is one of the most precious technologies to understand the happenings inside our brain and further understand our body's happenings. Automatic prediction of oncoming seizures using the EEG signals helps the doctors and clinical experts and reduces their workload. This paper proposes an end-to-end deep learning algorithm to fully automate seizure prediction's laborious task without any heavy pre-processing on the EEG data or feature engineering. The proposed deep learning network is a blend of signal processing and deep learning pipeline, which automates the seizure prediction framework using the EEG signals. This proposed model was evaluated on an open EEG dataset, CHB-MIT. The network achieved an average sensitivity of 97.746\text{\%} and a false positive rate (FPR) of 0.2373 per hour.  ( 2 min )

When training early-stage deep neural networks (DNNs), generating intermediate features via convolution or linear layers occupied most of the execution time. Accordingly, extensive research has been done to reduce the computational burden of the convolution or linear layers. In recent mobile-friendly DNNs, however, the relative number of operations involved in processing these layers has significantly reduced. As a result, the proportion of the execution time of other layers, such as batch normalization layers, has increased. Thus, in this work, we conduct a detailed analysis of the batch normalization layer to efficiently reduce the runtime overhead in the batch normalization process. Backed up by the thorough analysis, we present an extremely efficient batch normalization, named LightNorm, and its associated hardware module. In more detail, we fuse three approximation techniques that are i) low bit-precision, ii) range batch normalization, and iii) block floating point. All these approximate techniques are carefully utilized not only to maintain the statistics of intermediate feature maps, but also to minimize the off-chip memory accesses. By using the proposed LightNorm hardware, we can achieve significant area and energy savings during the DNN training without hurting the training accuracy. This makes the proposed hardware a great candidate for the on-device training.  ( 2 min )

The process of screening molecules for desirable properties is a key step in several applications, ranging from drug discovery to material design. During the process of drug discovery specifically, protein-ligand docking, or chemical docking, is a standard in-silico scoring technique that estimates the binding affinity of molecules with a specific protein target. Recently, however, as the number of virtual molecules available to test has rapidly grown, these classical docking algorithms have created a significant computational bottleneck. We address this problem by introducing Deep Surrogate Docking (DSD), a framework that applies deep learning-based surrogate modeling to accelerate the docking process substantially. DSD can be interpreted as a formalism of several earlier surrogate prefiltering techniques, adding novel metrics and practical training practices. Specifically, we show that graph neural networks (GNNs) can serve as fast and accurate estimators of classical docking algorithms. Additionally, we introduce FiLMv2, a novel GNN architecture which we show outperforms existing state-of-the-art GNN architectures, attaining more accurate and stable performance by allowing the model to filter out irrelevant information from data more efficiently. Through extensive experimentation and analysis, we show that the DSD workflow combined with the FiLMv2 architecture provides a 9.496x speedup in molecule screening with a <3% recall error rate on an example docking task. Our open-source code is available at https://github.com/ryienh/graph-dock.  ( 2 min )

One of the most fundamental graph problems is finding a shortest path from a source to a target node. While in its basic forms the problem has been studied extensively and efficient algorithms are known, it becomes significantly harder as soon as parts of the graph are susceptible to failure. Although one can recompute a shortest replacement path after every outage, this is rather inefficient both in time and/or storage. One way to overcome this problem is to shift computational burden from the queries into a pre-processing step, where a data structure is computed that allows for fast querying of replacement paths, typically referred to as a Distance Sensitivity Oracle (DSO). While DSOs have been extensively studied in the theoretical computer science community, to the best of our knowledge this is the first work to construct DSOs using deep learning techniques. We show how to use deep learning to utilize a combinatorial structure of replacement paths. More specifically, we utilize the combinatorial structure of replacement paths as a concatenation of shortest paths and use deep learning to find the pivot nodes for stitching shortest paths into replacement paths.  ( 2 min )

Unsupervised speech enhancement based on variational autoencoders has shown promising performance compared with the commonly used supervised methods. This approach involves the use of a pre-trained deep speech prior along with a parametric noise model, where the noise parameters are learned from the noisy speech signal with an expectationmaximization (EM)-based method. The E-step involves an intractable latent posterior distribution. Existing algorithms to solve this step are either based on computationally heavy Monte Carlo Markov Chain sampling methods and variational inference, or inefficient optimization-based methods. In this paper, we propose a new approach based on Langevin dynamics that generates multiple sequences of samples and comes with a total variation-based regularization to incorporate temporal correlations of latent vectors. Our experiments demonstrate that the developed framework makes an effective compromise between computational efficiency and enhancement quality, and outperforms existing methods.  ( 2 min )

In this paper, we investigate the impact of neural networks (NNs) topology on adversarial robustness. Specifically, we study the graph produced when an input traverses all the layers of a NN, and show that such graphs are different for clean and adversarial inputs. We find that graphs from clean inputs are more centralized around highway edges, whereas those from adversaries are more diffuse, leveraging under-optimized edges. Through experiments on a variety of datasets and architectures, we show that these under-optimized edges are a source of adversarial vulnerability and that they can be used to detect adversarial inputs.  ( 2 min )

Both industry and academia have made considerable progress in developing trustworthy and responsible machine learning (ML) systems. While critical concepts like fairness and explainability are often addressed, the safety of systems is typically not sufficiently taken into account. By viewing data-driven decision systems as socio-technical systems, we draw on the uncertainty in ML literature to show how fairML systems can also be safeML systems. We posit that a fair model needs to be an uncertainty-aware model, e.g. by drawing on distributional regression. For fair decisions, we argue that a safe fail option should be used for individuals with uncertain categorization. We introduce semi-structured deep distributional regression as a modeling framework which addresses multiple concerns brought against standard ML models and show its use in a real-world example of algorithmic profiling of job seekers.  ( 2 min )

PROteolysis TArgeting Chimeras (PROTACs) are an emerging therapeutic modality for degrading a protein of interest (POI) by marking it for degradation by the proteasome. Recent developments in artificial intelligence (AI) suggest that deep generative models can assist with the de novo design of molecules with desired properties, and their application to PROTAC design remains largely unexplored. We show that a graph-based generative model can be used to propose novel PROTAC-like structures from empty graphs. Our model can be guided towards the generation of large molecules (30--140 heavy atoms) predicted to degrade a POI through policy-gradient reinforcement learning (RL). Rewards during RL are applied using a boosted tree surrogate model that predicts a molecule's degradation potential for each POI. Using this approach, we steer the generative model towards compounds with higher likelihoods of predicted degradation activity. Despite being trained on sparse public data, the generative model proposes molecules with substructures found in known degraders. After fine-tuning, predicted activity against a challenging POI increases from 50% to >80% with near-perfect chemical validity for sampled compounds, suggesting this is a promising approach for the optimization of large, PROTAC-like molecules for targeted protein degradation.  ( 2 min )

We consider the classic online learning and stochastic multi-armed bandit (MAB) problems, when at each step, the online policy can probe and find out which of a small number ($k$) of choices has better reward (or loss) before making its choice. In this model, we derive algorithms whose regret bounds have exponentially better dependence on the time horizon compared to the classic regret bounds. In particular, we show that probing with $k=2$ suffices to achieve time-independent regret bounds for online linear and convex optimization. The same number of probes improve the regret bound of stochastic MAB with independent arms from $O(\sqrt{nT})$ to $O(n^2 \log T)$, where $n$ is the number of arms and $T$ is the horizon length. For stochastic MAB, we also consider a stronger model where a probe reveals the reward values of the probed arms, and show that in this case, $k=3$ probes suffice to achieve parameter-independent constant regret, $O(n^2)$. Such regret bounds cannot be achieved even with full feedback after the play, showcasing the power of limited ``advice'' via probing before making the play. We also present extensions to the setting where the hints can be imperfect, and to the case of stochastic MAB where the rewards of the arms can be correlated.  ( 2 min )

Self-supervised pre-training of a speech foundation model, followed by supervised fine-tuning, has shown impressive quality improvements on automatic speech recognition (ASR) tasks. Fine-tuning separate foundation models for many downstream tasks are expensive since the foundation model is usually very big. Parameter-efficient fine-tuning methods (e.g. adapter, sparse update methods) offer an alternative paradigm where a small set of parameters are updated to adapt the foundation model to new tasks. However, these methods still suffer from a high computational memory cost and slow training speed because they require backpropagation through the entire neural network at each step. In the paper, we analyze the performance of features at different layers of a foundation model on the speech recognition task and propose a novel hierarchical feature fusion method for resource-efficient transfer learning from speech foundation models. Experimental results show that the proposed method can achieve better performance on speech recognition task than existing algorithms with fewer number of trainable parameters, less computational memory cost and faster training speed. After combining with Adapters at all layers, the proposed method can achieve the same performance as fine-tuning the whole model with $97\%$ fewer trainable encoder parameters and $53\%$ faster training speed.  ( 2 min )

Recent research has demonstrated the capability of behavior signals captured by smartphones and wearables for longitudinal behavior modeling. However, there is a lack of a comprehensive public dataset that serves as an open testbed for fair comparison among algorithms. Moreover, prior studies mainly evaluate algorithms using data from a single population within a short period, without measuring the cross-dataset generalizability of these algorithms. We present the first multi-year passive sensing datasets, containing over 700 user-years and 497 unique users' data collected from mobile and wearable sensors, together with a wide range of well-being metrics. Our datasets can support multiple cross-dataset evaluations of behavior modeling algorithms' generalizability across different users and years. As a starting point, we provide the benchmark results of 18 algorithms on the task of depression detection. Our results indicate that both prior depression detection algorithms and domain generalization techniques show potential but need further research to achieve adequate cross-dataset generalizability. We envision our multi-year datasets can support the ML community in developing generalizable longitudinal behavior modeling algorithms.  ( 2 min )

The number of malware is constantly on the rise. Though most new malware are modifications of existing ones, their sheer number is quite overwhelming. In this paper, we present a novel system to visualize and map millions of malware to points in a 2-dimensional (2D) spatial grid. This enables visualizing relationships within large malware datasets that can be used to develop triage solutions to screen different malware rapidly and provide situational awareness. Our approach links two visualizations within an interactive display. Our first view is a spatial point-based visualization of similarity among the samples based on a reduced dimensional projection of binary feature representations of malware. Our second spatial grid-based view provides a better insight into similarities and differences between selected malware samples in terms of the binary-based visual representations they share. We also provide a case study where the effect of packing on the malware data is correlated with the complexity of the packing algorithm.  ( 2 min )

Artificial Intelligence (AI) is having a tremendous impact across most areas of science. Applications of AI in healthcare have the potential to improve our ability to detect, diagnose, prognose, and intervene on human disease. For AI models to be used clinically, they need to be made safe, reproducible and robust, and the underlying software framework must be aware of the particularities (e.g. geometry, physiology, physics) of medical data being processed. This work introduces MONAI, a freely available, community-supported, and consortium-led PyTorch-based framework for deep learning in healthcare. MONAI extends PyTorch to support medical data, with a particular focus on imaging, and provide purpose-specific AI model architectures, transformations and utilities that streamline the development and deployment of medical AI models. MONAI follows best practices for software-development, providing an easy-to-use, robust, well-documented, and well-tested software framework. MONAI preserves the simple, additive, and compositional approach of its underlying PyTorch libraries. MONAI is being used by and receiving contributions from research, clinical and industrial teams from around the world, who are pursuing applications spanning nearly every aspect of healthcare.  ( 3 min )

In recent years, Machine learning (ML) techniques developed for Natural Language Processing (NLP) have permeated into developing better computer vision algorithms. In this work, we use such NLP-inspired techniques to improve the accuracy, robustness and generalizability of ML models for simulating transient dynamics. We introduce teacher forcing and curriculum learning based training mechanics to model vortical flows and show an enhancement in accuracy for ML models, such as FNO and UNet by more than 50%.  ( 2 min )

Online damage quantification suffers from insufficient labeled data. In this context, adopting the domain adaptation on historical labeled data from similar structures/damages to assist the current diagnosis task would be beneficial. However, most domain adaptation methods are designed for classification and cannot efficiently address damage quantification, a regression problem with continuous real-valued labels. This study first proposes a novel domain adaptation method, the Online Fuzzy-set-based Joint Distribution Adaptation for Regression, to address this challenge. By converting the continuous real-valued labels to fuzzy class labels via fuzzy sets, the conditional distribution discrepancy is measured, and domain adaptation can simultaneously consider the marginal and conditional distribution for the regression task. Furthermore, a framework of online damage quantification integrated with the proposed domain adaptation method is presented. The method has been verified with an example of a damaged helicopter panel, in which domain adaptations are conducted across different damage locations and from simulation to experiment, proving the accuracy of damage quantification can be improved significantly even in a noisy environment. It is expected that the proposed approach to be applied to the fleet-level digital twin considering the individual differences.  ( 2 min )

Models that accurately predict properties based on chemical structure are valuable tools in drug discovery. However, for many properties, public and private training sets are typically small, and it is difficult for the models to generalize well outside of the training data. Recently, large language models have addressed this problem by using self-supervised pretraining on large unlabeled datasets, followed by fine-tuning on smaller, labeled datasets. In this paper, we report MolE, a molecular foundation model that adapts the DeBERTa architecture to be used on molecular graphs together with a two-step pretraining strategy. The first step of pretraining is a self-supervised approach focused on learning chemical structures, and the second step is a massive multi-task approach to learn biological information. We show that fine-tuning pretrained MolE achieves state-of-the-art results on 9 of the 22 ADMET tasks included in the Therapeutic Data Commons.  ( 2 min )

How AI Image Generators Work (Stable Diffusion / Dall-E) - Computerphile: https://www.youtube.com/watch?v=1CIpzeNxIhU Stable Diffusion in Code (AI Image Generation) - Computerphile: https://www.youtube.com/watch?v=-lz30by8-sU submitted by /u/keghn [link] [comments]  ( 44 min )

Do you work on the sleep stage classification problem? You must have noticed how much large labeled dataset you need to train your model, which might not always be achievable. Since self-supervised learning solves the issue of having few labels, we revisited some existing sleep stage classification models to see how they perform if they are pretrained with a self-supervised learning method. We find that after pertaining, these methods need only 5% of labeled data to achieve the previous supervised performance. Check our work https://arxiv.org/abs/2210.06286 and our codes https://github.com/emadeldeen24/eval_ssl_ssc submitted by /u/emad_eldeen [link] [comments]  ( 58 min )

We are working on #machinelearning applied to behavioural data for #ransomware detection. This is a 3-components PCA (50% of variance is explained) applied to behavioural data from #ransomware and legit programs, as collected by Owlyshield. Trajectories should be interpreted as the evolution of programs activities over time. ​ 3-component PCA showing Ransomware/legit binaries behaviours What is interesting is that we can build a separating hyperplane (a SVM works well but xgboost shows outstanding performances). We focus solely on the activity of programs (or families of programs) in terms of disk activities (read and write). Behaviours are collected by Owlyshield, our open-source anti-malware engine we created and maintain. Owlyshield is a dynamic project and the quantity of metrics we collect is increasing rapidly. We work with timeseries of aggregated data that describe the evolution of the activity of a family of process over time. Some examples of such features : Count of read/setinfo/write operations, Total read/write bytes, Total read/write entropy, Count of files opened/deleted/read/renamed/written, ... As of now we only support Windows which was simple to work with: Minifilters make accessing I/O request packets (IRPs) easy, Ransomware attacks are still uncommon on *nix systems and we lack sufficient binaries for supervised learning. We would like to work on the Linux support but we are still unsure if recompiling the kernel is required to monitor low-level read/write activity. Fuse may be an option. Let us know what you think may be a good way to implement it. As of now, our model classifies individual points (aggregated features at a given time) but does not take into account the "direction" of the trajectory (timeseries). We would like to know how you would build such a model? submitted by /u/dlescos [link] [comments]  ( 59 min )

Hi, I tried a search on this but not sure how best to word it. Basically, I am wondering if anyone has some resources or ideas of teaching the basics of machine learning but as an in-person group-based activity? I am effectively looking to get other teams who know nothing about it, a basic understanding of what I am doing when I deploy models to the business. submitted by /u/calv420 [link] [comments]  ( 58 min )

Mods feel free to delete this if you feel it's inappropriate. https://youtu.be/_KVAzAzO5HU We interviewed Francois Chollet, Mark Bishop, David Chalmers, Joscha Bach and Karl Friston on the Chinese Room argument. The Chinese Room Argument was first proposed by philosopher John Searle in 1980. It is an argument against the possibility of artificial intelligence (AI) – that is, the idea that a machine could ever be truly intelligent, as opposed to just imitating intelligence. The argument goes like this: Imagine a room in which a person sits at a desk, with a book of rules in front of them. This person does not understand Chinese. Someone outside the room passes a piece of paper through a slot in the door. On this paper is a Chinese character. The person in the room consults the book of rules and, following these rules, writes down another Chinese character and passes it back out through the slot. To someone outside the room, it appears that the person in the room is engaging in a conversation in Chinese. In reality, they have no idea what they are doing – they are just following the rules in the book. The Chinese Room Argument is an argument against the idea that a machine could ever be truly intelligent. It is based on the idea that intelligence requires understanding, and that following rules is not the same as understanding. TL;DR - Chalmers, Chollet, Bach and Friston think that minds can arise from information (functionalists with some interesting distinctions on whether it's causal / strongly emergent etc), Bishop/Searle not, they think there is an ontological difference in "being". submitted by /u/timscarfe [link] [comments]  ( 59 min )

I'm trying to get my feet wet with using deep learning based techniques for video understanding tasks - action recognition, video summarization, video temporal grounding, etc. Could someone point to any resources that serve as a gentle introduction into the kind of techniques used for these tasks? submitted by /u/fullgoopy_alchemist [link] [comments]  ( 58 min )

This academic plagiarist has gotten hundreds of thousands of dollars for AI ethics research(https://www.umu.se/globalassets/qbank/andreastheodorouvirginiadignum-26433crop001155650resize1154649autoorientquality90density150stripextensionjpgid16.jpg?format=webp&mode=crop&width=1280): $300000 for EXPLAIN (2022-25) where he is the primary investigator for Umeå University. Funded by the Vinnova under Eureka ITEA/4 AI Cluster. $140000 for the project "RAIN"(that appears to be just a dubious presentation long after the funder has forgotten about their money) and several hundred thousand dollars more for other "research projects" related to AI ethics and transparency. The funniest part is that he claimed on a number of occasions that he has been cleared of the accusations by NPOF(a Swedish institution investigating academic misconduct) but NPOF writes the following: Thank you for your inquiryWe received a report regarding Andreas Theodorou and his dissertation in 2020. Theodorou made the dissertation in the UK. The dissertation is not made within Swedish jurisdiction and can not be investigated by Npof.Kind regardsRegistrator and his alma mater for obvious reasons refuses to investigate him. All the while he is being aggressively promoted by some Virginia Dignum a self promoting professor who among academics is considered highly proficient in academic politics. For more info go here:https://forbetterscience.com/2022/10/28/schneider-shorts-28-10-2022-indisputable-scientific-quality/#plagiarism or google "Theodorou plagiarism". submitted by /u/lexquests [link] [comments]  ( 60 min )

GitHub: https://PaperCode.cc/GoAttack Paper: https://arxiv.org/abs/2211.03769 Can you be smarter than AlphaZero Go agents? In Figure 2, KataGo makes a trivial mistake that even amateur human players can easily tell. More details are at https://PaperCode.cc/GoAttack. https://preview.redd.it/l2jv0l12hsy91.png?width=1768&format=png&auto=webp&s=9491c1a76eb8051289b18b7bd2010ddab23e00cc submitted by /u/sb710031 [link] [comments]  ( 58 min )

I am trying to build an NER model, but want multiple options for the spans...ex: "I like green cats." -> {BOBI, BIII, BOOO, etc} that I can feed into another algorithm to choose based on downstream criteria. ​ With something like T5, I would modify the beam search to give me a list of generative texts from most probable to nth most probable. With BERT, I don't know how to do this because I can't condition the result of a token classification on the previous one. submitted by /u/natural_language_guy [link] [comments]  ( 61 min )

Hi, me and my friend would like to make a project using generative model for face images, and we stumbled upon pixelrnn. Unfortunately, there is not much implementation detail available, except for research papers, and that does not help very much. We don't mind researching, but if it's something that's not possible for side project, we wouldn't like to waste our time. Do you have any advice? submitted by /u/prijateljmitar [link] [comments]  ( 57 min )

Looking for volunteers for building NLP models to classify elements in job postings (I.e Summary, Responsibilities, Qualifications, Benefits, etc.) and then categorize spans within the classifications (Skills, Nice to Have, Experience, etc.). I have a scalable web scraper I developed that pulls the job posting data from indeed. Currently using spaCy and prodigy but open to other libraries. DM if interested. So far I have not seen a job site that has all of the job postings in a standard format (Google job search schema is the closest I think). The outcome would be exciting for researching career opportunities and developing resume content with the latest industry insights and trends. submitted by /u/Kbig22 [link] [comments]  ( 58 min )

[P]I've a project to create login in which user will give a photo which then will be matched with dataset( containing picture of all individual who can login) and will login to that particular account. I've to do it in java. I figured out that I will have to use openCV for it. However, I really have no idea of which algorithms to choose and what considerations amd limitations I should work for. Can anyone give like the basuc concept of this implementation. Like which algorithm and library to use and why? I apologize if this is not the right sub to post. Plz redirect me to the right one. Thanks in advance. Ps. I have basic understanding of machune learning( linear, logistic regression and neural networks) and don't know anything about openCV. submitted by /u/Ok_Opportunity_2022 [link] [comments]  ( 58 min )

Hi, I'm a high school student who needs some serious help on a research project, my grade is depending on this, and my mentor just dipped out on me. I'm working on a project that collects the vibrations of people's motions, then can identify the motion based on the vibrations. I have my data collected, and I converted the data into mel spectrograms. I'm supposed to do t-SNE and PCA on my datasets, but I am having some very serious problems with this, and I can't ask my mentor for help because he ghosted me. My project deadlines are coming up very soon. If anyone here has a familiarity with t-SNE or PCA and is willing to help me work out the problem, PM me and we can DM or call on Discord about the project. If you actually manage to get me out of this hole I can Venmo you some money but I'm a student and it will probably not be very much. Thanks everyone who is willing to try submitted by /u/n-nya [link] [comments]  ( 57 min )

Hello, I was reading some papers about character level language models, and all of them test on Text8 dataset. I tried to understand the metric of this dataset but it was in vain. All the papers measure the Bit per character which I didn’t understand (have to do with compression I guess). So can someone explain to me how can this metric evaluate how good a LM model is ? Thanks ! submitted by /u/Meddhouib10 [link] [comments]  ( 58 min )

Hi All- I'm dealing with a dataset to train a model to predict the number occurrences of events (probability(event1), probability(event2),etc). I have over 400 features. However, as shown in the table below, I am facing a few issues: 1) The data is sparse, i.e., it contains some rare events. 2) The data is imbalanced, i.e., the number of negative labels is extremely larger than other events. I am currently doing a down-sampling of the negative labels, but I think there is a risk with that approach since the distribution of the data can be changed by down-sampling. If that is true, what would a good approach here? Furthermore, given the rare events, can I simply use a classification model (xgbbost, ...) for this problem? Or do I need to train a separate model for each event? ​ event_name count event1 1324 event2 124200 event3 800000 no_event 13000000 submitted by /u/hopedallas [link] [comments]  ( 59 min )

Hi all! I am trying to map two floating point numerical datasets with one dataset (of size 4096 timesteps/elements) going into the encoder and the other dataset (of size 8192) going into the decoder input and decoder output with 0 as the special start/stop character. While training, I am able to reduce the overall loss to around 0.020 but when I try to run the inferencing model, I am not sure if I am doing the right thing because the code I am using is used for outputting an encoded vector... But since my data is of float32 datatype, I cannot even encode it and feed it to the model ( I do carry out some data preprocessing in order to make it suitable for the model). Any sort of suggestions or help will be much appreciated as I am relatively new to encoder-decoder models and not sure what I am doing while inferencing. I am attaching my model architecture and the inferencing model. Training architecture: ​ https://preview.redd.it/mysq6nucoqy91.png?width=1194&format=png&auto=webp&s=2b2b0a8db3ca7770e463835f50679946a507f67d opt = Adam(lr=0.007, clipnorm=1) model_encoder_training.compile(optimizer=opt, loss='mean_squared_error', metrics=['mse']) Inferencing architecture and loop: ​ https://preview.redd.it/81p9zbcioqy91.png?width=1199&format=png&auto=webp&s=429d61e83421e5affccc97daea2ae9bd9d3103c6 submitted by /u/Shoddy-Competition29 [link] [comments]  ( 60 min )

Excited to announce an upcoming AMA in /r/MachineLearning with the members of Stability.ai on Nov 15 at 11:00 AM PST. They have been one of the driving forces behind the open-source AI movement, being known for being key in the success of StableDiffusion (https://www.reddit.com/r/StableDiffusion/) and many other disruptive changes to the overall landscape of AI. ​ A thread will be created before the official AMA time for those who won't be able to attend on that day. submitted by /u/olaf_nij [link] [comments]  ( 81 min )

Hello, I have a project in mind that requres an algorithm that can extract product features based on the image of a product provided. For example: I have an image of a golden ring with a diamond and ruby inset And the model must output something like "metal - gold, inset - diamond, ruby" ​ Is there a ML model that can do thing? Or maybe a model that I can repurpose for the task? submitted by /u/levch [link] [comments]  ( 57 min )

applying a crosss validated model without retraining to the independent set with When we use the LeaveOneOut.split(x) on the training dataset, the model is iteratively fitted for each fold and thus each fold has its own coefficients for the stimator e.g. logistic regression. Now let's say you use this trained classifier outside of the cross validation loop on the independent dataset, is the classifier using parameters from the final fold? Classifier = LogisticRegression() for train test in LeaveOneOut split(X): ::::::::::::::::classifier.fit(x train, y train) :::::::::::::::::classifer.predict(x test) classifier.predict(x independent) Anyway to make sure the classifier, when predicting on the independent set, is taking into account overall coefficients across all folds submitted by /u/macORnvidia [link] [comments]  ( 59 min )

Jointly with advancements in AI capabilities, interest in the evaluation of artificial intelligence is also rising quickly across disciplines. From the policy making, to cognitive science, and of course in all the domains of AI people are wondering how to construct benchmarks, and what insights we get out of them. In attempt to bundle these perspectives, and the corresponding news & events, we've created an old school mailing list on Google Groups. Open for all, no matter the expertise, so come on and join! https://groups.google.com/g/ai-eval submitted by /u/wschella [link] [comments]  ( 59 min )

Hello! I just hit 1.0.0 version of a library I've been developing for the past months as a side project. Pytorch Symbolic A library that aims to provide a concise API for neural network creation in PyTorch. The API and the inner workings are similar to Keras / TensorFlow2 Functional API which I always enjoyed using. I decided to go with "Symbolic" in the name instead of "Functional" because I believe it better represents how the library works (also "functional" is kind of taken by torch.nn.functional). I did my best to prepare a useful documentation, so if you are interested, please check it out! It is filled with examples, best practices, benchmarks, explanations of the inner workings and more. See Documentation See on GitHub See on PyPI Example This example shows how to crea…  ( 64 min )

Any ML/DL peeps interested in taking a stab at implementing the Rebel algorithm for poker by Facebook AI group, along with maybe making a proper game api for training, all as an open source? If you're not familiar with the paper, this is the link: Rebel Let Me Know! submitted by /u/Character_Bluejay601 [link] [comments]  ( 57 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 44 min )

submitted by /u/trcytony [link] [comments]  ( 44 min )

Game Engines have had no-code game development tools since eons. Result which is awesome games especially indie. We have visual no-code tools for AI development, but they are: - Limited in functionality i.e., they don't allow changes to their models - Unaffordable for average deep learning researcher or developer - Limited in scope i.e., they have very few models or models only in a certain sub-domain - Impossible/Difficult to import previous work ​ Imagine a web-based drag and drop AI Development tool which allows you to: - import your previous models or any model on github/huggingface - make changes to imported models visually - change/add/remove any layer of neural network - verify neural network design by calculating input and output vector size - export code in tf/pytorch/onnx - prune and quantize deep learning models - train models on cloud or local machine - auto label data using zero shot detectors (ZSD-YOLO) - monitor training history and progress - inspect outputs and gradients of any arbitrary layer in deep learning models ​ Edit 1: Please list your reasons in comments section View Poll submitted by /u/kamiurek [link] [comments]  ( 45 min )

submitted by /u/the_anonymizer [link] [comments]  ( 43 min )

Is there bias like with the Wall Street Finance jobs or more fair like with SWE jobs in tech? submitted by /u/uluzg [link] [comments]  ( 48 min )

After almost a year of tinkering with AI tools, we thought it might be good to share some of our knowledge with the community. Here is a quick toolkit with thoughts, tricks, and AI concerns for you 🔥 https://preview.redd.it/e1ypo60eary91.png?width=948&format=png&auto=webp&s=346f2c919e9dbb6c74f6c48ca4787ed5113f4bab Here a first experimental prompt book for data visualization: https://docs.google.com/presentation/d/1V8d6TIlKqB1j5xPFH7cCmgKOV_fMs4Cb4dwgjD5GIsg/edit?usp=sharing Here a prompt book of materials: https://docs.google.com/presentation/d/1eAQ2vKU1esP_bBV_XYfNbS-BUYaBDXS2dFj7NC8sJDw/edit?usp=sharing And here an article of the general tools you could use with some of the main concerns behind: https://domesticdatastreamers.medium.com/a-quick-artificial-intelligence-tooguide-for-designers-and-data-designers-c99fe643c102 submitted by /u/pauerrrr [link] [comments]  ( 44 min )

submitted by /u/chelsea_bear [link] [comments]  ( 46 min )

submitted by /u/GameDevCoach [link] [comments]  ( 41 min )

submitted by /u/GameDevCoach [link] [comments]  ( 42 min )

submitted by /u/kenickh [link] [comments]  ( 44 min )

All have Calculus 1-3, Linear Algebra, at least one probability module, but; Descending order: the most to least stats material (with CS major have one probability module) Ascending order: the most to least CS material Only where there's CS, there's CS material (including Algorithms and, Systems Analysis & Design) i.e. the first two have no CS material These are the only available options. I want a career in tech. More R&D than data science kind of career. View Poll submitted by /u/uluzg [link] [comments]  ( 46 min )

submitted by /u/PM_ME_LIFE_MEANING [link] [comments]  ( 44 min )

submitted by /u/Thesmallcookie [link] [comments]  ( 41 min )

submitted by /u/Available_Tadpole829 [link] [comments]  ( 42 min )

submitted by /u/vadhavaniyafaijan [link] [comments]  ( 42 min )

submitted by /u/smorga [link] [comments]  ( 43 min )

submitted by /u/ai-lover [link] [comments]  ( 44 min )

submitted by /u/galaxy7474 [link] [comments]  ( 44 min )

submitted by /u/KarneyHatch [link] [comments]  ( 45 min )

This week saw the news that two major automotive companies, Ford and VW, were walking away from a multi-billion dollar investment into Argo AI, a venture intended to build self-driving vehicles. Instead, the companies hope to roll at least some of that effort back into augmenting drivers' abilities to drive safely and efficiently. The post DSC Weekly 8 Nov 2022 – Layoffs in the Work From Home Era appeared first on Data Science Central.  ( 22 min )

CDO Data-to-Business Innovation Dilemma: Deliver meaningful and relevant business outcomes in the short-term while simultaneously and continuously building and transforming the organization’s data and analytics assets and capabilities. The post Leveraging Agile to Create Economies of Learning Mindset – Part 2 appeared first on Data Science Central.  ( 23 min )

If you are looking for VoIP options, a softphone is your best bet. Softphones are software applications that help you make calls through a computer or a mobile device. Softphones have all the features of a desk phone. For example, you can transfer calls, hold the line, and toggle between multiple lines like any other… Read More »What is a Softphone—and Why Do We Use It? The post What is a Softphone—and Why Do We Use It? appeared first on Data Science Central.  ( 20 min )

Cybercriminals across the globe attack vulnerable systems daily. But who are these people, and what motivates them to perform these illegal acts? Some might even call them terrorists, and in some cases they are. To protect yourself and your organization you need to have a clear understanding of the kinds of cyber criminals out there,… Read More »Cybercriminals Exposed: 5 Kinds and How They Operate The post Cybercriminals Exposed: 5 Kinds and How They Operate appeared first on Data Science Central.  ( 20 min )

The COVID-19 global pandemic has accelerated the need to verify and onboard users online across several industries, such as financial services, insurance, and healthcare. When it comes to user experience it is crucial to provide a frictionless transaction while maintaining a high standard for identity verification.  The question is, how do you verify real people […]  ( 7 min )

Amazon SageMaker is a fully-managed service that provides every developer and data scientist with the ability to quickly build, train, and deploy machine learning (ML) models at scale. ML is realized in inference. SageMaker offers four Inference options: Real-Time Inference Serverless Inference Asynchronous Inference Batch Transform These four options can be broadly classified into Online […]  ( 13 min )

Non-small cell lung cancer (NSCLC) is the most common type of lung cancer, and is composed of tumors with significant molecular heterogeneity resulting from differences in intrinsic oncogenic signaling pathways [1]. Enabling precision medicine, anticipating patient preferences, detecting disease, and improving care quality for NSCLC patients are important topics among healthcare and life sciences (HCLS) […]  ( 17 min )

Welcome to Research Focus, a new series of blog posts that highlights notable publications, events, code/datasets, new hires and other milestones from across the research community at Microsoft. Microsoft Turing Universal Language Representation model, T-ULRv6, tops both XTREME and GLUE leaderboards with a single model Barun Patra, Saksham Singhal, Shaohan Huang, Zewen Chi, Li Dong, […] The post Research Focus: Week of November 7, 2022 appeared first on Microsoft Research.  ( 10 min )

Gamifying the Patient-Therapist Relationship With Reinforcement Learning Continue reading on Becoming Human: Artificial Intelligence Magazine »

The unprecedented popularity of online shopping has created a threat to the existence and relevance of physical retail. The widespread use… Continue reading on Becoming Human: Artificial Intelligence Magazine »

No content preview

No content preview

No content preview

submitted by /u/kenickh [link] [comments]  ( 46 min )

The warm, friendly animation Mushroom Spirit is featured In the NVIDIA Studio this week, modeled by talented 3D illustrator Julie Greenberg, aka Juliestrator. The post 3D Illustrator Juliestrator Makes Marvelous Mushroom Magic This Week ‘In the NVIDIA Studio’ appeared first on NVIDIA Blog.  ( 8 min )

PPO has a lot code-level optimizations, in which reward scaling can play an important role in both stabilizing behavior of policy gradient and the target to train the critic. However, what makes me confused is that the scheme claimed in this paper relates the reward statistics with the running variance of discounted return, it doesn't give any insight, however, empirical success can't persuade me. So I want to listen to your understanding, those seemingly inconspicuous tricks affect performance drastically, but not been studied well enough. https://preview.redd.it/t91eyknavpy91.png?width=1266&format=png&auto=webp&s=da997def68d70c250e703ef0a916d54f77106366 submitted by /u/OutOfCharm [link] [comments]  ( 52 min )

What are the theoretical limitations of first-visit and every-visit Monte Carlo? I understand the definitional differences, and that both converge to the optimal Q values under certain conditions - however are their situations in which one is preferred over the other? submitted by /u/dahkneela [link] [comments]  ( 55 min )

Post-hoc explanation methods have become increasingly depended upon for understanding black-box classifiers in high-stakes applications, precipitating a need for reliable explanations. While numerous explanation methods have been proposed, recent works have shown that many existing methods can be inconsistent or unstable. In addition, high-performing classifiers are often highly nonlinear and can exhibit complex behavior around the decision boundary, leading to brittle or misleading local explanations. Therefore, there is an impending need to quantify the uncertainty of such explanation methods in order to understand when explanations are trustworthy. We introduce a novel uncertainty quantification method parameterized by a Gaussian Process model, which combines the uncertainty approximation of existing methods with a novel geodesic-based similarity which captures the complexity of the target black-box decision boundary. The proposed framework is highly flexible; it can be used with any black-box classifier and feature attribution method to amortize uncertainty estimates for explanations. We show theoretically that our proposed geodesic-based kernel similarity increases with the complexity of the decision boundary. Empirical results on multiple tabular and image datasets show that our decision boundary-aware uncertainty estimate improves understanding of explanations as compared to existing methods.  ( 2 min )

Real engineering and scientific applications often involve one or more qualitative inputs. Standard Gaussian processes (GPs), however, cannot directly accommodate qualitative inputs. The recently introduced latent variable Gaussian process (LVGP) overcomes this issue by first mapping each qualitative factor to underlying latent variables (LVs), and then uses any standard GP covariance function over these LVs. The LVs are estimated similarly to the other GP hyperparameters through maximum likelihood estimation, and then plugged into the prediction expressions. However, this plug-in approach will not account for uncertainty in estimation of the LVs, which can be significant especially with limited training data. In this work, we develop a fully Bayesian approach for the LVGP model and for visualizing the effects of the qualitative inputs via their LVs. We also develop approximations for scaling up LVGPs and fully Bayesian inference for the LVGP hyperparameters. We conduct numerical studies comparing plug-in inference against fully Bayesian inference over a few engineering models and material design applications. In contrast to previous studies on standard GP modeling that have largely concluded that a fully Bayesian treatment offers limited improvements, our results show that for LVGP modeling it offers significant improvements in prediction accuracy and uncertainty quantification over the plug-in approach.  ( 2 min )

Existing regulations prohibit model developers from accessing protected attributes (gender, race, etc.), often resulting in fairness assessments on populations without knowing their protected groups. In such scenarios, institutions often adopt a separation between the model developers (who train models with no access to the protected attributes) and a compliance team (who may have access to the entire dataset for auditing purpose). However, the model developers might be allowed to test their models for bias by querying the compliance team for group fairness metrics. In this paper, we first demonstrate that simply querying for fairness metrics, such as statistical parity and equalized odds can leak the protected attributes of individuals to the model developers. We demonstrate that there always exist strategies by which the model developers can identify the protected attribute of a targeted individual in the test dataset from just a single query. In particular, we show that one can reconstruct the protected attributes of all the individuals from O(Nk log n/Nk) queries when Nk<<n using techniques from compressed sensing (n: size of the test dataset, Nk: size of smallest group). Our results pose an interesting debate in algorithmic fairness: should querying for fairness metrics be viewed as a neutral-valued solution to ensure compliance with regulations? Or, does it constitute a violation of regulations and privacy if the number of queries answered is enough for the model developers to identify the protected attributes of specific individuals? To address this supposed violation, we also propose Attribute-Conceal, a novel technique that achieves differential privacy by calibrating noise to the smooth sensitivity of our bias query, outperforming naive techniques such as Laplace mechanism. We also include experimental results on the Adult dataset and synthetic data (broad range of parameters).  ( 3 min )

In peer review systems, reviewers are often asked to evaluate various features of submissions, such as technical quality or novelty. A score is given to each of the predefined features and based on these the reviewer has to provide an overall quantitative recommendation. However, reviewers differ in how much they value different features. It may be assumed that each reviewer has her own mapping from a set of criteria scores (score vectors) to a recommendation, and that different reviewers have different mappings in mind. Recently, Noothigattu, Shah and Procaccia introduced a novel framework for obtaining an aggregated mapping by means of Empirical Risk Minimization based on $L(p,q)$ loss functions, and studied its axiomatic properties in the sense of social choice theory. We provide a body of new results about this framework. On the one hand we study a trade-off between strategy-proofness and the ability of the method to properly capture agreements of the majority of reviewers. On the other hand, we show that dropping a certain unrealistic assumption makes the previously reported results to be no longer valid. Moreover, in the general case, strategy-proofness fails dramatically in the sense that a reviewer is able to make significant changes to the solution in her favor by arbitrarily small changes to their true beliefs. In particular, no approximate version of strategy-proofness is possible in this general setting since the method is not even continuous w.r.t. the data. Finally we propose a modified aggregation algorithm which is continuous and show that it has good axiomatic properties.  ( 3 min )

We propose an end-to-end music mixing style transfer system that converts the mixing style of an input multitrack to that of a reference song. This is achieved with an encoder pre-trained with a contrastive objective to extract only audio effects related information from a reference music recording. All our models are trained in a self-supervised manner from an already-processed wet multitrack dataset with an effective data preprocessing method that alleviates the data scarcity of obtaining unprocessed dry data. We analyze the proposed encoder for the disentanglement capability of audio effects and also validate its performance for mixing style transfer through both objective and subjective evaluations. From the results, we show the proposed system not only converts the mixing style of multitrack audio close to a reference but is also robust with mixture-wise style transfer upon using a music source separation model.  ( 2 min )

Standard fine-tuning of large pre-trained language models (PLMs) for downstream tasks requires updating hundreds of millions to billions of parameters, and storing a large copy of the PLM weights for every task resulting in increased cost for storing, sharing and serving the models. To address this, parameter-efficient fine-tuning (PEFT) techniques were introduced where small trainable components are injected in the PLM and updated during fine-tuning. We propose AdaMix as a general PEFT method that tunes a mixture of adaptation modules -- given the underlying PEFT method of choice -- introduced in each Transformer layer while keeping most of the PLM weights frozen. For instance, AdaMix can leverage a mixture of adapters like Houlsby or a mixture of low rank decomposition matrices like LoRA to improve downstream task performance over the corresponding PEFT methods for fully supervised and few-shot NLU and NLG tasks. Further, we design AdaMix such that it matches the same computational cost and the number of tunable parameters as the underlying PEFT method. By only tuning 0.1-0.2% of PLM parameters, we show that AdaMix outperforms SOTA parameter-efficient fine-tuning and full model fine-tuning for both NLU and NLG tasks.  ( 2 min )

Multi-relational databases are the basis of most consolidated data collections in science and industry today. Most learning and mining algorithms, however, require data to be represented in a propositional form. While there is a variety of specialized machine learning algorithms that can operate directly on multi-relational data sets, propositionalization algorithms transform multi-relational databases into propositional data sets, thereby allowing the application of traditional machine learning and data mining algorithms without their modification. One prominent propositionalization algorithm is RELAGGS by Krogel and Wrobel, which transforms the data by nested aggregations. We propose a new neural network based algorithm in the spirit of RELAGGS that employs trainable composite aggregate functions instead of the static aggregate functions used in the original approach. In this way, we can jointly train the propositionalization with the prediction model, or, alternatively, use the learned aggegrations as embeddings in other algorithms. We demonstrate the increased predictive performance by comparing N-RELAGGS with RELAGGS and multiple other state-of-the-art algorithms.  ( 2 min )

Batch Normalization (BN) is a way to accelerate and stabilize training in deep convolutional neural networks. However, the BN works continuously within the network structure, although some training data may not always require it. In this research work, we propose a threshold-based adaptive BN approach that separates the data that requires the BN and data that does not require it. The experimental evaluation demonstrates that proposed approach achieves better performance mostly in small batch sizes than the traditional BN using MNIST, Fashion-MNIST, CIFAR-10, and CIFAR-100. It also reduces the occurrence of internal variable transformation to increase network stability  ( 2 min )

Active learning with strong and weak labelers considers a practical setting where we have access to both costly but accurate strong labelers and inaccurate but cheap predictions provided by weak labelers. We study this problem in the streaming setting, where decisions must be taken \textit{online}. We design a novel algorithmic template, Weak Labeler Active Cover (WL-AC), that is able to robustly leverage the lower quality weak labelers to reduce the query complexity while retaining the desired level of accuracy. Prior active learning algorithms with access to weak labelers learn a difference classifier which predicts where the weak labels differ from strong labelers; this requires the strong assumption of realizability of the difference classifier (Zhang and Chaudhuri,2015). WL-AC bypasses this \textit{realizability} assumption and thus is applicable to many real-world scenarios such as random corrupted weak labels and high dimensional family of difference classifiers (\textit{e.g.,} deep neural nets). Moreover, WL-AC cleverly trades off evaluating the quality with full exploitation of weak labelers, which allows to convert any active learning strategy to one that can leverage weak labelers. We provide an instantiation of this template that achieves the optimal query complexity for any given weak labeler, without knowing its accuracy a-priori. Empirically, we propose an instantiation of the WL-AC template that can be efficiently implemented for large-scale models (\textit{e.g}., deep neural nets) and show its effectiveness on the corrupted-MNIST dataset by significantly reducing the number of labels while keeping the same accuracy as in passive learning.  ( 3 min )

Compared with model-based control and optimization methods, reinforcement learning (RL) provides a data-driven, learning-based framework to formulate and solve sequential decision-making problems. The RL framework has become promising due to largely improved data availability and computing power in the aviation industry. Many aviation-based applications can be formulated or treated as sequential decision-making problems. Some of them are offline planning problems, while others need to be solved online and are safety-critical. In this survey paper, we first describe standard RL formulations and solutions. Then we survey the landscape of existing RL-based applications in aviation. Finally, we summarize the paper, identify the technical gaps, and suggest future directions of RL research in aviation.  ( 2 min )

Asteroids are an indelible part of most astronomical surveys though only a few surveys are dedicated to their detection. Over the years, high cadence microlensing surveys have amassed several terabytes of data while scanning primarily the Galactic Bulge and Magellanic Clouds for microlensing events and thus provide a treasure trove of opportunities for scientific data mining. In particular, numerous asteroids have been observed by visual inspection of selected images. This paper presents novel deep learning-based solutions for the recovery and discovery of asteroids in the microlensing data gathered by the MOA project. Asteroid tracklets can be clearly seen by combining all the observations on a given night and these tracklets inform the structure of the dataset. Known asteroids were identified within these composite images and used for creating the labelled datasets required for supervised learning. Several custom CNN models were developed to identify images with asteroid tracklets. Model ensembling was then employed to reduce the variance in the predictions as well as to improve the generalisation error, achieving a recall of 97.67%. Furthermore, the YOLOv4 object detector was trained to localize asteroid tracklets, achieving a mean Average Precision (mAP) of 90.97%. These trained networks will be applied to 16 years of MOA archival data to find both known and unknown asteroids that have been observed by the survey over the years. The methodologies developed can be adapted for use by other surveys for asteroid recovery and discovery.  ( 3 min )

Through their transfer learning abilities, highly-parameterized large pre-trained language models have dominated the NLP landscape for a multitude of downstream language tasks. Though linguistically proficient, the inability of these models to incorporate the learning of non-linguistic entities (numerals and arithmetic reasoning) limits their usage for tasks that require numeric comprehension or strict mathematical reasoning. However, as we illustrate in this paper, building a general purpose language model that also happens to be proficient in mathematical reasoning is not as straight-forward as training it on a numeric dataset. In this work, we develop a novel framework that enables language models to be mathematically proficient while retaining their linguistic prowess. Specifically, we offer information-theoretic interventions to overcome the catastrophic forgetting of linguistic skills that occurs while injecting non-linguistic skills into language models.  ( 2 min )

In this article we prove that estimator stability is enough to show that leave-one-out cross validation is a sound procedure, by providing concentration bounds in a general framework. In particular, we provide concentration bounds beyond Lipschitz continuity assumptions on the loss or on the estimator. In order to obtain our results, we rely on random variables with distribution satisfying the logarithmic Sobolev inequality, providing us a relatively rich class of distributions. We illustrate our method by considering several interesting examples, including linear regression, kernel density estimation, and stabilized / truncated estimators such as stabilized kernel regression.  ( 2 min )

Normalizing flows are constructed from a base distribution with a known density and a diffeomorphism with a tractable Jacobian. The base density of a normalizing flow can be parameterised by a different normalizing flow, thus allowing maps to be found between arbitrary distributions. We demonstrate and explore the utility of this approach and show it is particularly interesting in the case of conditional normalizing flows and for introducing optimal transport constraints on maps that are constructed using normalizing flows.  ( 2 min )

Federated learning provides an effective paradigm to jointly optimize a model benefited from rich distributed data while protecting data privacy. Nonetheless, the heterogeneity nature of distributed data makes it challenging to define and ensure fairness among local agents. For instance, it is intuitively "unfair" for agents with data of high quality to sacrifice their performance due to other agents with low quality data. Currently popular egalitarian and weighted equity-based fairness measures suffer from the aforementioned pitfall. In this work, we aim to formally represent this problem and address these fairness issues using concepts from co-operative game theory and social choice theory. We model the task of learning a shared predictor in the federated setting as a fair public decision making problem, and then define the notion of core-stable fairness: Given $N$ agents, there is no subset of agents $S$ that can benefit significantly by forming a coalition among themselves based on their utilities $U_N$ and $U_S$ (i.e., $\frac{|S|}{N} U_S \geq U_N$). Core-stable predictors are robust to low quality local data from some agents, and additionally they satisfy Proportionality and Pareto-optimality, two well sought-after fairness and efficiency notions within social choice. We then propose an efficient federated learning protocol CoreFed to optimize a core stable predictor. CoreFed determines a core-stable predictor when the loss functions of the agents are convex. CoreFed also determines approximate core-stable predictors when the loss functions are not convex, like smooth neural networks. We further show the existence of core-stable predictors in more general settings using Kakutani's fixed point theorem. Finally, we empirically validate our analysis on two real-world datasets, and we show that CoreFed achieves higher core-stability fairness than FedAvg while having similar accuracy.  ( 3 min )

The goal of algorithmic recourse is to reverse unfavorable decisions (e.g., from loan denial to approval) under automated decision making by suggesting actionable feature changes (e.g., reduce the number of credit cards). To generate low-cost recourse the majority of methods work under the assumption that the features are independently manipulable (IMF). To address the feature dependency issue the recourse problem is usually studied through the causal recourse paradigm. However, it is well known that strong assumptions, as encoded in causal models and structural equations, hinder the applicability of these methods in complex domains where causal dependency structures are ambiguous. In this work, we develop \texttt{DEAR} (DisEntangling Algorithmic Recourse), a novel and practical recourse framework that bridges the gap between the IMF and the strong causal assumptions. \texttt{DEAR} generates recourses by disentangling the latent representation of co-varying features from a subset of promising recourse features to capture the main practical recourse desiderata. Our experiments on real-world data corroborate our theoretically motivated recourse model and highlight our framework's ability to provide reliable, low-cost recourse in the presence of feature dependencies.  ( 2 min )

A fault diagnosis method for power electronics converters based on deep feedforward network and wavelet compression is proposed in this paper. The transient historical data after wavelet compression are used to realize the training of fault diagnosis classifier. Firstly, the correlation analysis of the voltage or current data running in various fault states is performed to remove the redundant features and the sampling point. Secondly, the wavelet transform is used to remove the redundant data of the features, and then the training sample data is greatly compressed. The deep feedforward network is trained by the low frequency component of the features, while the training speed is greatly accelerated. The average accuracy of fault diagnosis classifier can reach over 97%. Finally, the fault diagnosis classifier is tested, and final diagnosis result is determined by multiple-groups transient data, by which the reliability of diagnosis results is improved. The experimental result proves that the classifier has strong generalization ability and can accurately locate the open-circuit faults in IGBTs.  ( 2 min )

BCI Motor Imagery datasets usually are small and have different electrodes setups. When training a Deep Neural Network, one may want to capitalize on all these datasets to increase the amount of data available and hence obtain good generalization results. To this end, we introduce a spatial graph signal interpolation technique, that allows to interpolate efficiently multiple electrodes. We conduct a set of experiments with five BCI Motor Imagery datasets comparing the proposed interpolation with spherical splines interpolation. We believe that this work provides novel ideas on how to leverage graphs to interpolate electrodes and on how to homogenize multiple datasets.  ( 2 min )

Rates of missing data often depend on record-keeping policies and thus may change across times and locations, even when the underlying features are comparatively stable. In this paper, we introduce the problem of Domain Adaptation under Missingness Shift (DAMS). Here, (labeled) source data and (unlabeled) target data would be exchangeable but for different missing data mechanisms. We show that when missing data indicators are available, DAMS can reduce to covariate shift. Focusing on the setting where missing data indicators are absent, we establish the following theoretical results for underreporting completely at random: (i) covariate shift is violated (adaptation is required); (ii) the optimal source predictor can perform worse on the target domain than a constant one; (iii) the optimal target predictor can be identified, even when the missingness rates themselves are not; and (iv) for linear models, a simple analytic adjustment yields consistent estimates of the optimal target parameters. In experiments on synthetic and semi-synthetic data, we demonstrate the promise of our methods when assumptions hold. Finally, we discuss a rich family of future extensions.  ( 2 min )

The goal of the Mars Sample Return campaign is to collect soil samples from the surface of Mars and return them to Earth for further study. The samples will be acquired and stored in metal tubes by the Perseverance rover and deposited on the Martian surface. As part of this campaign, it is expected that the Sample Fetch Rover will be in charge of localizing and gathering up to 35 sample tubes over 150 Martian sols. Autonomous capabilities are critical for the success of the overall campaign and for the Sample Fetch Rover in particular. This work proposes a novel system architecture for the autonomous detection and pose estimation of the sample tubes. For the detection stage, a Deep Neural Network and transfer learning from a synthetic dataset are proposed. The dataset is created from photorealistic 3D simulations of Martian scenarios. Additionally, the sample tubes poses are estimated using Computer Vision techniques such as contour detection and line fitting on the detected area. Finally, laboratory tests of the Sample Localization procedure are performed using the ExoMars Testing Rover on a Mars-like testbed. These tests validate the proposed approach in different hardware architectures, providing promising results related to the sample detection and pose estimation.

There are several types of graphs according to the nature of the data. Directed graphs have directions of links, and signed graphs have link types such as positive and negative. Signed directed graphs are the most complex and informative that have both. Graph convolutions for signed directed graphs have not been delivered much yet. Though many graph convolution studies have been provided, most are designed for undirected or unsigned. In this paper, we investigate a spectral graph convolution network for signed directed graphs. We propose a novel complex Hermitian adjacency matrix that encodes graph information via complex numbers. The complex numbers represent link direction, sign, and connectivity via the phases and magnitudes. Then, we define a magnetic Laplacian with the Hermitian matrix and prove its positive semidefinite property. Finally, we introduce Signed Directed Graph Convolution Network(SD-GCN). To the best of our knowledge, it is the first spectral convolution for graphs with signs. Moreover, unlike the existing convolutions designed for a specific graph type, the proposed model has generality that can be applied to any graphs, including undirected, directed, or signed. The performance of the proposed model was evaluated with four real-world graphs. It outperforms all the other state-of-the-art graph convolutions in the task of link sign prediction.

The use of algorithm-agnostic approaches is an emerging area of research for explaining the contribution of individual features towards the predicted outcome. Whilst there is a focus on explaining the prediction itself, a little has been done on explaining the robustness of these models, that is, how each feature contributes towards achieving that robustness. In this paper, we propose the use of Shapley values to explain the contribution of each feature towards the model's robustness, measured in terms of Receiver-operating Characteristics (ROC) curve and the Area under the ROC curve (AUC). With the help of an illustrative example, we demonstrate the proposed idea of explaining the ROC curve, and visualising the uncertainties in these curves. For imbalanced datasets, the use of Precision-Recall Curve (PRC) is considered more appropriate, therefore we also demonstrate how to explain the PRCs with the help of Shapley values. The explanation of robustness can help analysts in a number of ways, for example, it can help in feature selection by identifying the irrelevant features that can be removed to reduce the computational complexity. It can also help in identifying the features having critical contributions or negative contributions towards robustness.

For a long time, different recommendation tasks typically require designing task-specific architectures and training objectives. As a result, it is hard to transfer the learned knowledge and representations from one task to another, thus restricting the generalization ability of existing recommendation approaches, e.g., a sequential recommendation model can hardly be applied or transferred to a review generation method. To deal with such issues, considering that language can describe almost anything and language grounding is a powerful medium to represent various problems or tasks, we present a flexible and unified text-to-text paradigm called "Pretrain, Personalized Prompt, and Predict Paradigm" (P5) for recommendation, which unifies various recommendation tasks in a shared framework. In P5, all data such as user-item interactions, user descriptions, item metadata, and user reviews are converted to a common format -- natural language sequences. The rich information from natural language assists P5 to capture deeper semantics for personalization and recommendation. Specifically, P5 learns different tasks with the same language modeling objective during pretraining. Thus, it serves as the foundation model for various downstream recommendation tasks, allows easy integration with other modalities, and enables instruction-based recommendation based on prompts. P5 advances recommender systems from shallow model to deep model to big model, and will revolutionize the technical form of recommender systems towards universal recommendation engine. With adaptive personalized prompt for different users, P5 is able to make predictions in a zero-shot or few-shot manner and largely reduces the necessity for extensive fine-tuning. On several recommendation benchmarks, we conduct experiments to show the effectiveness of P5. We release the source code at https://github.com/jeykigung/P5.

In explainable machine learning, local post-hoc explanation algorithms and inherently interpretable models are often seen as competing approaches. In this work, we offer a partial reconciliation between these two approaches by showing that Shapley Values correspond to Generalized Additive Models (GAMs). We introduce $n$-Shapley Values, a parametric family of local post-hoc explanation algorithms that explain individual predictions with interaction terms up to order $n$. By varying the parameter $n$, these explanations cover the entire range from Shapley Values up to a uniquely determined decomposition of the function that we attempt to explain. The relationship between $n$-Shapley Values and this decomposition offers a functionally-grounded characterization of Shapley Values, and highlights the limitations of these explanations. We then show that $n$-Shapley Values recover GAMs with interaction terms up to order $n$, which implies that the original Shapely Values recover GAMs without interaction terms. Taken together, our results offer a precise characterization of Shapley Values as they are being used in explainable machine learning. Python code to estimate $n$-Shapley Values and replicate the results in this paper is available at \url{https://github.com/tml-tuebingen/nshap}.

Existing deep-learning based tomographic image reconstruction methods do not provide accurate estimates of reconstruction uncertainty, hindering their real-world deployment. This paper develops a method, termed as the linearised deep image prior (DIP), to estimate the uncertainty associated with reconstructions produced by the DIP with total variation regularisation (TV). Specifically, we endow the DIP with conjugate Gaussian-linear model type error-bars computed from a local linearisation of the neural network around its optimised parameters. To preserve conjugacy, we approximate the TV regulariser with a Gaussian surrogate. This approach provides pixel-wise uncertainty estimates and a marginal likelihood objective for hyperparameter optimisation. We demonstrate the method on synthetic data and real-measured high-resolution 2D $\mu$CT data, and show that it provides superior calibration of uncertainty estimates relative to previous probabilistic formulations of the DIP. Our code is available at https://github.com/educating-dip/bayes_dip.

We study the problem of multi-armed bandits with $\epsilon$-global Differential Privacy (DP). First, we prove the minimax and problem-dependent regret lower bounds for stochastic and linear bandits that quantify the hardness of bandits with $\epsilon$-global DP. These bounds suggest the existence of two hardness regimes depending on the privacy budget $\epsilon$. In the high-privacy regime (small $\epsilon$), the hardness depends on a coupled effect of privacy and partial information about the reward distributions. In the low-privacy regime (large $\epsilon$), bandits with $\epsilon$-global DP are not harder than the bandits without privacy. For stochastic bandits, we further propose a generic framework to design a near-optimal $\epsilon$ global DP extension of an index-based optimistic bandit algorithm. The framework consists of three ingredients: the Laplace mechanism, arm-dependent adaptive episodes, and usage of only the rewards collected in the last episode for computing private statistics. Specifically, we instantiate $\epsilon$-global DP extensions of UCB and KL-UCB algorithms, namely AdaP-UCB and AdaP-KLUCB. AdaP-KLUCB is the first algorithm that both satisfies $\epsilon$-global DP and yields a regret upper bound that matches the problem-dependent lower bound up to multiplicative constants.

The joint optimization of the reconstruction and classification error is a hard non convex problem, especially when a non linear mapping is utilized. In order to overcome this obstacle, a novel optimization strategy is proposed, in which a Convolutional Autoencoder for dimensionality reduction and a classifier composed by a Fully Connected Network, are combined to simultaneously produce supervised dimensionality reduction and predictions. It turned out that this methodology can also be greatly beneficial in enforcing explainability of deep learning architectures. Additionally, the resulting Latent Space, optimized for the classification task, can be utilized to improve traditional, interpretable classification algorithms. The experimental results, showed that the proposed methodology achieved competitive results against the state of the art deep learning methods, while being much more efficient in terms of parameter count. Finally, it was empirically justified that the proposed methodology introduces advanced explainability regarding, not only the data structure through the produced latent space, but also about the classification behaviour.

Knowledge management systems (KMS) are in high demand for industrial researchers, chemical or research enterprises, or evidence-based decision making. However, existing systems have limitations in categorizing and organizing paper insights or relationships. Traditional databases are usually disjoint with logging systems, which limit its utility in generating concise, collated overviews. In this work, we briefly survey existing approaches of this problem space and propose a unified framework that utilizes relational databases to log hierarchical information to facilitate the research and writing process, or generate useful knowledge from references or insights from connected concepts. Our framework of bidirectional knowledge management system (BKMS) enables novel functionalities encompassing improved hierarchical note-taking, AI-assisted brainstorming, and multi-directional relationships. Potential applications include managing inventories and changes for manufacture or research enterprises, or generating analytic reports with evidence-based decision making.

Learning expressive molecular representations is crucial to facilitate the accurate prediction of molecular properties. Despite the significant advancement of graph neural networks (GNNs) in molecular representation learning, they generally face limitations such as neighbors-explosion, under-reaching, over-smoothing, and over-squashing. Also, GNNs usually have high computational costs because of the large-scale number of parameters. Typically, such limitations emerge or increase when facing relatively large-size graphs or using a deeper GNN model architecture. An idea to overcome these problems is to simplify a molecular graph into a small, rich, and informative one, which is more efficient and less challenging to train GNNs. To this end, we propose a novel molecular graph coarsening framework named FunQG utilizing Functional groups, as influential building blocks of a molecule to determine its properties, based on a graph-theoretic concept called Quotient Graph. By experiments, we show that the resulting informative graphs are much smaller than the molecular graphs and thus are good candidates for training GNNs. We apply the FunQG on popular molecular property prediction benchmarks and then compare the performance of some popular baseline GNNs on the obtained datasets with the performance of several state-of-the-art baselines on the original datasets. By experiments, this method significantly outperforms previous baselines on various datasets, besides its dramatic reduction in the number of parameters and low computational costs. Therefore, the FunQG can be used as a simple, cost-effective, and robust method for solving the molecular representation learning problem.

Large language models are shown to present privacy risks through memorization of training data, and several recent works have studied such risks for the pre-training phase. Little attention, however, has been given to the fine-tuning phase and it is not well understood how different fine-tuning methods (such as fine-tuning the full model, the model head, and adapter) compare in terms of memorization risk. This presents increasing concern as the "pre-train and fine-tune" paradigm proliferates. In this paper, we empirically study memorization of fine-tuning methods using membership inference and extraction attacks, and show that their susceptibility to attacks is very different. We observe that fine-tuning the head of the model has the highest susceptibility to attacks, whereas fine-tuning smaller adapters appears to be less vulnerable to known extraction attacks.

Federated Learning (FL) enables distributed training by learners using local data, thereby enhancing privacy and reducing communication. However, it presents numerous challenges relating to the heterogeneity of the data distribution, device capabilities, and participant availability as deployments scale, which can impact both model convergence and bias. Existing FL schemes use random participant selection to improve fairness; however, this can result in inefficient use of resources and lower quality training. In this work, we systematically address the question of resource efficiency in FL, showing the benefits of intelligent participant selection, and incorporation of updates from straggling participants. We demonstrate how these factors enable resource efficiency while also improving trained model quality.

Public Policies are not intrinsically positive or negative. Rather, policies provide varying levels of effects across different recipients. Methodologically, computational modeling enables the application of multiple influences on empirical data, thus allowing for heterogeneous response to policies. We use a random forest machine learning algorithm to emulate an agent-based model (ABM) and evaluate competing policies across 46 Metropolitan Regions (MRs) in Brazil. In doing so, we use input parameters and output indicators of 11,076 actual simulation runs and one million emulated runs. As a result, we obtain the optimal (and non-optimal) performance of each region over the policies. Optimum is defined as a combination of GDP production and the Gini coefficient inequality indicator for the full ensemble of Metropolitan Regions. Results suggest that MRs already have embedded structures that favor optimal or non-optimal results, but they also illustrate which policy is more beneficial to each place. In addition to providing MR-specific policies' results, the use of machine learning to simulate an ABM reduces the computational burden, whereas allowing for a much larger variation among model parameters. The coherence of results within the context of larger uncertainty--vis-\`a-vis those of the original ABM--reinforces robustness of the model. At the same time the exercise indicates which parameters should policymakers intervene on, in order to work towards precise policy optimal instruments.

Deep learning-based linkage of records across different databases is becoming increasingly useful in data integration and mining applications to discover new insights from multiple sources of data. However, due to privacy and confidentiality concerns, organisations often are not willing or allowed to share their sensitive data with any external parties, thus making it challenging to build/train deep learning models for record linkage across different organizations' databases. To overcome this limitation, we propose the first deep learning-based multi-party privacy-preserving record linkage (PPRL) protocol that can be used to link sensitive databases held by multiple different organisations. In our approach, each database owner first trains a local deep learning model, which is then uploaded to a secure environment and securely aggregated to create a global model. The global model is then used by a linkage unit to distinguish unlabelled record pairs as matches and non-matches. We utilise differential privacy to achieve provable privacy protection against re-identification attacks. We evaluate the linkage quality and scalability of our approach using several large real-world databases, showing that it can achieve high linkage quality while providing sufficient privacy protection against existing attacks.  ( 2 min )

Image super-resolution is a one-to-many problem, but most deep-learning based methods only provide one single solution to this problem. In this work, we tackle the problem of diverse super-resolution by reusing VD-VAE, a state-of-the art variational autoencoder (VAE). We find that the hierarchical latent representation learned by VD-VAE naturally separates the image low-frequency information, encoded in the latent groups at the top of the hierarchy, from the image high-frequency details, determined by the latent groups at the bottom of the latent hierarchy. Starting from this observation, we design a super-resolution model exploiting the specific structure of VD-VAE latent space. Specifically, we train an encoder to encode low-resolution images in the subset of VD-VAE latent space encoding the low-frequency information, and we combine this encoder with VD-VAE generative model to sample diverse super-resolved version of a low-resolution input. We demonstrate the ability of our method to generate diverse solutions to the super-resolution problem on face super-resolution with upsampling factors x4, x8, and x16.

Transfer learning aims to leverage knowledge from pre-trained models to benefit the target task. Prior transfer learning work mainly transfers from a single model. However, with the emergence of deep models pre-trained from different resources, model hubs consisting of diverse models with various architectures, pre-trained datasets and learning paradigms are available. Directly applying single-model transfer learning methods to each model wastes the abundant knowledge of the model hub and suffers from high computational cost. In this paper, we propose a Hub-Pathway framework to enable knowledge transfer from a model hub. The framework generates data-dependent pathway weights, based on which we assign the pathway routes at the input level to decide which pre-trained models are activated and passed through, and then set the pathway aggregation at the output level to aggregate the knowledge from different models to make predictions. The proposed framework can be trained end-to-end with the target task-specific loss, where it learns to explore better pathway configurations and exploit the knowledge in pre-trained models for each target datum. We utilize a noisy pathway generator and design an exploration loss to further explore different pathways throughout the model hub. To fully exploit the knowledge in pre-trained models, each model is further trained by specific data that activate it, which ensures its performance and enhances knowledge transfer. Experiment results on computer vision and reinforcement learning tasks demonstrate that the proposed Hub-Pathway framework achieves the state-of-the-art performance for model hub transfer learning.

Computational fluid dynamics (CFD) can be used to simulate vascular haemodynamics and analyse potential treatment options. CFD has shown to be beneficial in improving patient outcomes. However, the implementation of CFD for routine clinical use is yet to be realised. Barriers for CFD include high computational resources, specialist experience needed for designing simulation set-ups, and long processing times. The aim of this study was to explore the use of machine learning (ML) to replicate conventional aortic CFD with automatic and fast regression models. Data used to train/test the model consisted of 3,000 CFD simulations performed on synthetically generated 3D aortic shapes. These subjects were generated from a statistical shape model (SSM) built on real patient-specific aortas (N=67). Inference performed on 200 test shapes resulted in average errors of 6.01% +/-3.12 SD and 3.99% +/-0.93 SD for pressure and velocity, respectively. Our ML-based models performed CFD in +/-0.075 seconds (4,000x faster than the solver). This proof-of-concept study shows that results from conventional vascular CFD can be reproduced using ML at a much faster rate, in an automatic process, and with high accuracy.

Graph learning is a popular approach for performing machine learning on graph-structured data. It has revolutionized the machine learning ability to model graph data to address downstream tasks. Its application is wide due to the availability of graph data ranging from all types of networks to information systems. Most graph learning methods assume that the graph is static and its complete structure is known during training. This limits their applicability since they cannot be applied to problems where the underlying graph grows over time and/or new tasks emerge incrementally. Such applications require a lifelong learning approach that can learn the graph continuously and accommodate new information whilst retaining previously learned knowledge. Lifelong learning methods that enable continuous learning in regular domains like images and text cannot be directly applied to continuously evolving graph data, due to its irregular structure. As a result, graph lifelong learning is gaining attention from the research community. This survey paper provides a comprehensive overview of recent advancements in graph lifelong learning, including the categorization of existing methods, and the discussions of potential applications and open research problems.

Diffusion-based generative models have had a high impact on the computer vision and speech processing communities these past years. Besides data generation tasks, they have also been employed for data restoration tasks like speech enhancement and dereverberation. While discriminative models have traditionally been argued to be more powerful e.g. for speech enhancement, generative diffusion approaches have recently been shown to narrow this performance gap considerably. In this paper, we systematically compare the performance of generative diffusion models and discriminative approaches on different speech restoration tasks. For this, we extend our prior contributions on diffusion-based speech enhancement in the complex time-frequency domain to the task of bandwith extension. We then compare it to a discriminatively trained neural network with the same network architecture on three restoration tasks, namely speech denoising, dereverberation and bandwidth extension. We observe that the generative approach performs globally better than its discriminative counterpart on all tasks, with the strongest benefit for non-additive distortion models, like in dereverberation and bandwidth extension. Code and audio examples can be found online at https://uhh.de/inf-sp-sgmsemultitask

Cross-dataset emotion recognition as an extremely challenging task in the field of EEG-based affective computing is influenced by many factors, which makes the universal models yield unsatisfactory results. Facing the situation that lacks EEG information decoding research, we first analyzed the impact of different EEG information(individual, session, emotion and trial) for emotion recognition by sample space visualization, sample aggregation phenomena quantification, and energy pattern analysis on five public datasets. Based on these phenomena and patterns, we provided the processing methods and interpretable work of various EEG differences. Through the analysis of emotional feature distribution patterns, the Individual Emotional Feature Distribution Difference(IEFDD) was found, which was also considered as the main factor of the stability for emotion recognition. After analyzing the limitations of traditional modeling approach suffering from IEFDD, the Weight-based Channel-model Matrix Framework(WCMF) was proposed. To reasonably characterize emotional feature distribution patterns, four weight extraction methods were designed, and the optimal was the correction T-test(CT) weight extraction method. Finally, the performance of WCMF was validated on cross-dataset tasks in two kinds of experiments that simulated different practical scenarios, and the results showed that WCMF had more stable and better emotion recognition ability.

Proximal Policy Optimization (PPO) is a ubiquitous on-policy reinforcement learning algorithm but is significantly less utilized than off-policy learning algorithms in multi-agent settings. This is often due to the belief that PPO is significantly less sample efficient than off-policy methods in multi-agent systems. In this work, we carefully study the performance of PPO in cooperative multi-agent settings. We show that PPO-based multi-agent algorithms achieve surprisingly strong performance in four popular multi-agent testbeds: the particle-world environments, the StarCraft multi-agent challenge, Google Research Football, and the Hanabi challenge, with minimal hyperparameter tuning and without any domain-specific algorithmic modifications or architectures. Importantly, compared to competitive off-policy methods, PPO often achieves competitive or superior results in both final returns and sample efficiency. Finally, through ablation studies, we analyze implementation and hyperparameter factors that are critical to PPO's empirical performance, and give concrete practical suggestions regarding these factors. Our results show that when using these practices, simple PPO-based methods can be a strong baseline in cooperative multi-agent reinforcement learning. Source code is released at \url{https://github.com/marlbenchmark/on-policy}.

Bayesian inference without the likelihood evaluation, or likelihood-free inference, has been a key research topic in simulation studies for gaining quantitatively validated simulation models on real-world datasets. As the likelihood evaluation is inaccessible, previous papers train the amortized neural network to estimate the ground-truth posterior for the simulation of interest. Training the network and accumulating the dataset alternatively in a sequential manner could save the total simulation budget by orders of magnitude. In the data accumulation phase, the new simulation inputs are chosen within a portion of the total simulation budget to accumulate upon the collected dataset. This newly accumulated data degenerates because the set of simulation inputs is hardly mixed, and this degenerated data collection process ruins the posterior inference. This paper introduces a new sampling approach, called Neural Proposal (NP), of the simulation input that resolves the biased data collection as it guarantees the i.i.d. sampling. The experiments show the improved performance of our sampler, especially for the simulations with multi-modal posteriors.

Deep learning-based approaches have been developed to solve challenging problems in wireless communications, leading to promising results. Early attempts adopted neural network architectures inherited from applications such as computer vision. They often yield poor performance in large scale networks (i.e., poor scalability) and unseen network settings (i.e., poor generalization). To resolve these issues, graph neural networks (GNNs) have been recently adopted, as they can effectively exploit the domain knowledge, i.e., the graph topology in wireless communications problems. GNN-based methods can achieve near-optimal performance in large-scale networks and generalize well under different system settings, but the theoretical underpinnings and design guidelines remain elusive, which may hinder their practical implementations. This paper endeavors to fill both the theoretical and practical gaps. For theoretical guarantees, we prove that GNNs achieve near-optimal performance in wireless networks with much fewer training samples than traditional neural architectures. Specifically, to solve an optimization problem on an $n$-node graph (where the nodes may represent users, base stations, or antennas), GNNs' generalization error and required number of training samples are $\mathcal{O}(n)$ and $\mathcal{O}(n^2)$ times lower than the unstructured multi-layer perceptrons. For design guidelines, we propose a unified framework that is applicable to general design problems in wireless networks, which includes graph modeling, neural architecture design, and theory-guided performance enhancement. Extensive simulations, which cover a variety of important problems and network settings, verify our theory and the effectiveness of the proposed design framework.

The development of machine learning models for electrocatalysts requires a broad set of training data to enable their use across a wide variety of materials. One class of materials that currently lacks sufficient training data is oxides, which are critical for the development of Oxygen Evolution Reaction (OER) catalysts. To address this, we developed the Open Catalyst 2022 (OC22) dataset, consisting of 62,331 Density Functional Theory (DFT) relaxations (~9,854,504 single point calculations) across a range of oxide materials, coverages, and adsorbates. We define generalized total energy tasks that enable property prediction beyond adsorption energies; we test baseline performance of several graph neural networks; and we provide pre-defined dataset splits to establish clear benchmarks for future efforts. In the most general task, GemNet-OC sees a ~32% improvement in energy predictions when combining the chemically dissimilar Open Catalyst 2020 Dataset (OC20) and OC22 datasets via fine-tuning. Similarly, we achieved a ~19% improvement in total energy predictions on OC20 and a ~9% improvement in force predictions in OC22 when using joint training. We demonstrate the practical utility of a top performing model by capturing literature adsorption energies and important OER scaling relationships. We expect OC22 to provide an important benchmark for models seeking to incorporate intricate long-range electrostatic and magnetic interactions in oxide surfaces. The dataset and baseline models are open sourced, and a public leaderboard has been made available to encourage continued community developments on the total energy tasks and data.

Training energy-based models (EBMs) with noise-contrastive estimation (NCE) is theoretically feasible but practically challenging. Effective learning requires the noise distribution to be approximately similar to the target distribution, especially in high-dimensional domains. Previous works have explored modelling the noise distribution as a separate generative model, and then concurrently training this noise model with the EBM. While this method allows for more effective noise-contrastive estimation, it comes at the cost of extra memory and training complexity. Instead, this thesis proposes a self-adapting NCE algorithm which uses static instances of the EBM along its training trajectory as the noise distribution. During training, these static instances progressively converge to the target distribution, thereby circumventing the need to simultaneously train an auxiliary noise model. Moreover, we express this self-adapting NCE algorithm in the framework of Bregman divergences and show that it is a generalization of maximum likelihood learning for EBMs. The performance of our algorithm is evaluated across a range of noise update intervals, and experimental results show that shorter update intervals are conducive to higher synthesis quality.

Cooperative multi-agent reinforcement learning (MARL) has made prominent progress in recent years. For training efficiency and scalability, most of the MARL algorithms make all agents share the same policy or value network. However, in many complex multi-agent tasks, different agents are expected to possess specific abilities to handle different subtasks. In those scenarios, sharing parameters indiscriminately may lead to similar behavior across all agents, which will limit the exploration efficiency and degrade the final performance. To balance the training complexity and the diversity of agent behavior, we propose a novel framework to learn dynamic subtask assignment (LDSA) in cooperative MARL. Specifically, we first introduce a subtask encoder to construct a vector representation for each subtask according to its identity. To reasonably assign agents to different subtasks, we propose an ability-based subtask selection strategy, which can dynamically group agents with similar abilities into the same subtask. In this way, agents dealing with the same subtask share their learning of specific abilities and different subtasks correspond to different specific abilities. We further introduce two regularizers to increase the representation difference between subtasks and stabilize the training by discouraging agents from frequently changing subtasks, respectively. Empirical results show that LDSA learns reasonable and effective subtask assignment for better collaboration and significantly improves the learning performance on the challenging StarCraft II micromanagement benchmark and Google Research Football.

Continual learning (CL) learns a sequence of tasks incrementally. There are two popular CL settings, class incremental learning (CIL) and task incremental learning (TIL). A major challenge of CL is catastrophic forgetting (CF). While a number of techniques are already available to effectively overcome CF for TIL, CIL remains to be highly challenging. So far, little theoretical study has been done to provide a principled guidance on how to solve the CIL problem. This paper performs such a study. It first shows that probabilistically, the CIL problem can be decomposed into two sub-problems: Within-task Prediction (WP) and Task-id Prediction (TP). It further proves that TP is correlated with out-of-distribution (OOD) detection, which connects CIL and OOD detection. The key conclusion of this study is that regardless of whether WP and TP or OOD detection are defined explicitly or implicitly by a CIL algorithm, good WP and good TP or OOD detection are necessary and sufficient for good CIL performances. Additionally, TIL is simply WP. Based on the theoretical result, new CIL methods are also designed, which outperform strong baselines in both CIL and TIL settings by a large margin.

The wide adoption and application of Masked language models~(MLMs) on sensitive data (from legal to medical) necessitates a thorough quantitative investigation into their privacy vulnerabilities -- to what extent do MLMs leak information about their training data? Prior attempts at measuring leakage of MLMs via membership inference attacks have been inconclusive, implying the potential robustness of MLMs to privacy attacks. In this work, we posit that prior attempts were inconclusive because they based their attack solely on the MLM's model score. We devise a stronger membership inference attack based on likelihood ratio hypothesis testing that involves an additional reference MLM to more accurately quantify the privacy risks of memorization in MLMs. We show that masked language models are extremely susceptible to likelihood ratio membership inference attacks: Our empirical results, on models trained on medical notes, show that our attack improves the AUC of prior membership inference attacks from 0.66 to an alarmingly high 0.90 level, with a significant improvement in the low-error region: at 1% false positive rate, our attack is 51X more powerful than prior work.

Neural networks struggle in continual learning settings from catastrophic forgetting: when trials are blocked, new learning can overwrite the learning from previous blocks. Humans learn effectively in these settings, in some cases even showing an advantage of blocking, suggesting the brain contains mechanisms to overcome this problem. Here, we build on previous work and show that neural networks equipped with a mechanism for cognitive control do not exhibit catastrophic forgetting when trials are blocked. We further show an advantage of blocking over interleaving when there is a bias for active maintenance in the control signal, implying a tradeoff between maintenance and the strength of control. Analyses of map-like representations learned by the networks provided additional insights into these mechanisms. Our work highlights the potential of cognitive control to aid continual learning in neural networks, and offers an explanation for the advantage of blocking that has been observed in humans.

Recent advancements in computer vision promise to automate medical image analysis. Rheumatoid arthritis is an autoimmune disease that would profit from computer-based diagnosis, as there are no direct markers known, and doctors have to rely on manual inspection of X-ray images. In this work, we present a multi-task deep learning model that simultaneously learns to localize joints on X-ray images and diagnose two kinds of joint damage: narrowing and erosion. Additionally, we propose a modification of label smoothing, which combines classification and regression cues into a single loss and achieves 5% relative error reduction compared to standard loss functions. Our final model obtained 4th place in joint space narrowing and 5th place in joint erosion in the global RA2 DREAM challenge.

Fetal growth restriction (FGR) is a prevalent pregnancy condition characterised by failure of the fetus to reach its genetically predetermined growth potential. We explore the application of model fitting techniques, linear regression machine learning models, deep learning regression, and Haralick textured features from multi-contrast MRI for multi-fetal organ analysis of FGR. We employed T2 relaxometry and diffusion-weighted MRI datasets (using a combined T2-diffusion scan) for 12 normally grown and 12 FGR gestational age (GA) matched pregnancies. We applied the Intravoxel Incoherent Motion Model and novel multi-compartment models for MRI fetal analysis, which exhibit potential to provide a multi-organ FGR assessment, overcoming the limitations of empirical indicators - such as abnormal artery Doppler findings - to evaluate placental dysfunction. The placenta and fetal liver presented key differentiators between FGR and normal controls (decreased perfusion, abnormal fetal blood motion and reduced fetal blood oxygenation. This may be associated with the preferential shunting of the fetal blood towards the fetal brain. These features were further explored to determine their role in assessing FGR severity, by employing simple machine learning models to predict FGR diagnosis (100\% accuracy in test data, n=5), GA at delivery, time from MRI scan to delivery, and baby weight. Moreover, we explored the use of deep learning to regress the latter three variables. Image texture analysis of the fetal organs demonstrated prominent textural variations in the placental perfusion fractions maps between the groups (p$<$0.0009), and spatial differences in the incoherent fetal capillary blood motion in the liver (p$<$0.009). This research serves as a proof-of-concept, investigating the effect of FGR on fetal organs.

Let $\mathcal{D}$ be a dataset of smooth 3D-surfaces, partitioned into disjoint classes $\mathit{CL}_j$, $j= 1, \ldots, k$. We show how optimized diffeomorphic registration applied to large numbers of pairs $S,S' \in \mathcal{D}$ can provide descriptive feature vectors to implement automatic classification on $\mathcal{D}$, and generate classifiers invariant by rigid motions in $\mathbb{R}^3$. To enhance accuracy of automatic classification, we enrich the smallest classes $\mathit{CL}_j$ by diffeomorphic interpolation of smooth surfaces between pairs $S,S' \in \mathit{CL}_j$. We also implement small random perturbations of surfaces $S\in \mathit{CL}_j$ by random flows of smooth diffeomorphisms $F_t:\mathbb{R}^3 \to \mathbb{R}^3$. Finally, we test our automatic classification methods on a cardiology data base of discretized mitral valve surfaces.

Recently, convolutional neural networks (CNNs) and attention mechanisms have been widely used in image denoising and achieved satisfactory performance. However, the previous works mostly use a single head to receive the noisy image, limiting the richness of extracted features. Therefore, a novel CNN with multiple heads (MH) named MHCNN is proposed in this paper, whose heads will receive the input images rotated by different rotation angles. MH makes MHCNN simultaneously utilize features of rotated images to remove noise. To integrate these features effectively, we present a novel multi-path attention mechanism (MPA). Unlike previous attention mechanisms that handle pixel-level, channel-level, or patch-level features, MPA focuses on features at the image level. Experiments show MHCNN surpasses other state-of-the-art CNN models on additive white Gaussian noise (AWGN) denoising and real-world image denoising. Its peak signal-to-noise ratio (PSNR) results are higher than other networks, such as BRDNet, RIDNet, PAN-Net, and CSANN. The code is accessible at https://github.com/JiaHongZ/MHCNN.

Spiking neural networks (SNNs) attract great attention due to their low power consumption, low latency, and biological plausibility. As they are widely deployed in neuromorphic devices for low-power brain-inspired computing, security issues become increasingly important. However, compared to deep neural networks (DNNs), SNNs currently lack specifically designed defense methods against adversarial attacks. Inspired by neural membrane potential oscillation, we propose a novel neural model that incorporates the bio-inspired oscillation mechanism to enhance the security of SNNs. Our experiments show that SNNs with neural oscillation neurons have better resistance to adversarial attacks than ordinary SNNs with LIF neurons on kinds of architectures and datasets. Furthermore, we propose a defense method that changes model's gradients by replacing the form of oscillation, which hides the original training gradients and confuses the attacker into using gradients of 'fake' neurons to generate invalid adversarial samples. Our experiments suggest that the proposed defense method can effectively resist both single-step and iterative attacks with comparable defense effectiveness and much less computational costs than adversarial training methods on DNNs. To the best of our knowledge, this is the first work that establishes adversarial defense through masking surrogate gradients on SNNs.

In this paper, we propose a personalized seizure detection and classification framework that quickly adapts to a specific patient from limited seizure samples. We achieve this by combining two novel paradigms that have recently seen much success in a wide variety of real-world applications: graph neural networks (GNN), and meta-learning. We train a Meta-GNN based classifier that learns a global model from a set of training patients such that this global model can eventually be adapted to a new unseen patient using very limited samples. We apply our approach on the TUSZ-dataset, one of the largest and publicly available benchmark datasets for epilepsy. We show that our method outperforms the baselines by reaching 82.7% on accuracy and 82.08% on F1 score after only 20 iterations on new unseen patients.

This paper is concerned with constructing a confidence interval for a target policy's value offline based on a pre-collected observational data in infinite horizon settings. Most of the existing works assume no unmeasured variables exist that confound the observed actions. This assumption, however, is likely to be violated in real applications such as healthcare and technological industries. In this paper, we show that with some auxiliary variables that mediate the effect of actions on the system dynamics, the target policy's value is identifiable in a confounded Markov decision process. Based on this result, we develop an efficient off-policy value estimator that is robust to potential model misspecification and provide rigorous uncertainty quantification. Our method is justified by theoretical results, simulated and real datasets obtained from ridesharing companies. A Python implementation of the proposed procedure is available at https://github.com/Mamba413/cope.

Decoding information from bio-signals such as EEG, using machine learning has been a challenge due to the small data-sets and difficulty to obtain labels. We propose a reconstruction-based self-supervised learning model, the masked auto-encoder for EEG (MAEEG), for learning EEG representations by learning to reconstruct the masked EEG features using a transformer architecture. We found that MAEEG can learn representations that significantly improve sleep stage classification (~5% accuracy increase) when only a small number of labels are given. We also found that input sample lengths and different ways of masking during reconstruction-based SSL pretraining have a huge effect on downstream model performance. Specifically, learning to reconstruct a larger proportion and more concentrated masked signal results in better performance on sleep classification. Our findings provide insight into how reconstruction-based SSL could help representation learning for EEG.

Due to the difficulty of collecting electrocardiogram (ECG) data during emergency situations, ECG data generation is an efficient solution for dealing with highly imbalanced ECG training datasets. However, due to the complex dynamics of ECG signals, the synthesis of such signals is a challenging task. In this paper, we present a novel approach for ECG signal generation based on Generative Adversarial Networks (GANs). Our approach combines GANs with statistical ECG data modeling to leverage prior knowledge about ECG dynamics in the generation process. To validate the proposed approach, we present experiments using ECG signals from the MIT-BIH arrhythmia database. The obtained results show the benefits of modeling temporal and amplitude variations of ECG signals as 2-D shapes in generating realistic signals and also improving the performance of state-of-the-art arrhythmia classification baselines.

Sleep plays a crucial role in the well-being of human lives. Traditional sleep studies using Polysomnography are associated with discomfort and often lower sleep quality caused by the acquisition setup. Previous works have focused on developing less obtrusive methods to conduct high-quality sleep studies, and ear-EEG is among popular alternatives. However, the performance of sleep staging based on ear-EEG is still inferior to scalp-EEG based sleep staging. In order to address the performance gap between scalp-EEG and ear-EEG based sleep staging, we propose a cross-modal knowledge distillation strategy, which is a domain adaptation approach. Our experiments and analysis validate the effectiveness of the proposed approach with existing architectures, where it enhances the accuracy of the ear-EEG based sleep staging by 3.46% and Cohen's kappa coefficient by a margin of 0.038.

Despite recent progress made by self-supervised methods in representation learning with residual networks, they still underperform supervised learning on the ImageNet classification benchmark, limiting their applicability in performance-critical settings. Building on prior theoretical insights from ReLIC [Mitrovic et al., 2021], we include additional inductive biases into self-supervised learning. We propose a new self-supervised representation learning method, ReLICv2, which combines an explicit invariance loss with a contrastive objective over a varied set of appropriately constructed data views to avoid learning spurious correlations and obtain more informative representations. ReLICv2 achieves $77.1\%$ top-$1$ accuracy on ImageNet under linear evaluation on a ResNet50, thus improving the previous state-of-the-art by absolute $+1.5\%$; on larger ResNet models, ReLICv2 achieves up to $80.6\%$ outperforming previous self-supervised approaches with margins up to $+2.3\%$. Most notably, ReLICv2 is the first unsupervised representation learning method to consistently outperform the supervised baseline in a like-for-like comparison over a range of ResNet architectures. Using ReLICv2, we also learn more robust and transferable representations that generalize better out-of-distribution than previous work, both on image classification and semantic segmentation. Finally, we show that despite using ResNet encoders, ReLICv2 is comparable to state-of-the-art self-supervised vision transformers.

A simulation is useful when the phenomenon of interest is either expensive to regenerate or irreproducible with the same context. Recently, Bayesian inference on the distribution of the simulation input parameter has been implemented sequentially to minimize the required simulation budget for the task of simulation validation to the real-world. However, the Bayesian inference is still challenging when the ground-truth posterior is multi-modal with a high-dimensional simulation output. This paper introduces a regularization technique, namely Neural Posterior Regularization (NPR), which enforces the model to explore the input parameter space effectively. Afterward, we provide the closed-form solution of the regularized optimization that enables analyzing the effect of the regularization. We empirically validate that NPR attains the statistically significant gain on benchmark performances for diverse simulation tasks.

In a scenario with multiple persons talking simultaneously, the spatial characteristics of the signals are the most distinct feature for extracting the target signal. In this work, we develop a deep joint spatial-spectral non-linear filter that can be steered in an arbitrary target direction. For this we propose a simple and effective conditioning mechanism, which sets the initial state of the filter's recurrent layers based on the target direction. We show that this scheme is more effective than the baseline approach and increases the flexibility of the filter at no performance cost. The resulting spatially selective non-linear filters can also be used for speech separation of an arbitrary number of speakers and enable very accurate multi-speaker localization as we demonstrate in this paper.

The task of motion forecasting is critical for self-driving vehicles (SDVs) to be able to plan a safe maneuver. Towards this goal, modern approaches reason about the map, the agents' past trajectories and their interactions in order to produce accurate forecasts. The predominant approach has been to encode the map and other agents in the reference frame of each target agent. However, this approach is computationally expensive for multi-agent prediction as inference needs to be run for each agent. To tackle the scaling challenge, the solution thus far has been to encode all agents and the map in a shared coordinate frame (e.g., the SDV frame). However, this is sample inefficient and vulnerable to domain shift (e.g., when the SDV visits uncommon states). In contrast, in this paper, we propose an efficient shared encoding for all agents and the map without sacrificing accuracy or generalization. Towards this goal, we leverage pair-wise relative positional encodings to represent geometric relationships between the agents and the map elements in a heterogeneous spatial graph. This parameterization allows us to be invariant to scene viewpoint, and save online computation by re-using map embeddings computed offline. Our decoder is also viewpoint agnostic, predicting agent goals on the lane graph to enable diverse and context-aware multimodal prediction. We demonstrate the effectiveness of our approach on the urban Argoverse 2 benchmark as well as a novel highway dataset.

Decoding emotional states from human brain activity plays an important role in brain-computer interfaces. Existing emotion decoding methods still have two main limitations: one is only decoding a single emotion category from a brain activity pattern and the decoded emotion categories are coarse-grained, which is inconsistent with the complex emotional expression of human; the other is ignoring the discrepancy of emotion expression between the left and right hemispheres of human brain. In this paper, we propose a novel multi-view multi-label hybrid model for fine-grained emotion decoding (up to 80 emotion categories) which can learn the expressive neural representations and predicting multiple emotional states simultaneously. Specifically, the generative component of our hybrid model is parametrized by a multi-view variational auto-encoder, in which we regard the brain activity of left and right hemispheres and their difference as three distinct views, and use the product of expert mechanism in its inference network. The discriminative component of our hybrid model is implemented by a multi-label classification network with an asymmetric focal loss. For more accurate emotion decoding, we first adopt a label-aware module for emotion-specific neural representations learning and then model the dependency of emotional states by a masked self-attention mechanism. Extensive experiments on two visually evoked emotional datasets show the superiority of our method.

Person re-identification is a critical privacy breach in publicly shared healthcare data. We investigate the possibility of a new type of privacy threat on publicly shared privacy insensitive large scale wearable sensing data. In this paper, we investigate user specific biometric signatures in terms of two contextual biometric traits, physiological (photoplethysmography and electrodermal activity) and physical (accelerometer) contexts. In this regard, we propose PhysioGait, a context-aware physiological signal model that consists of a Multi-Modal Siamese Convolutional Neural Network (mmSNN) which learns the spatial and temporal information individually and performs sensor fusion in a Siamese cost with the objective of predicting a person's identity. We evaluated PhysioGait attack model using 4 real-time collected datasets (3-data under IRB #HP-00064387 and one publicly available data) and two combined datasets achieving 89% - 93% accuracy of re-identifying persons.

Geospatial Information Systems are used by researchers and Humanitarian Assistance and Disaster Response (HADR) practitioners to support a wide variety of important applications. However, collaboration between these actors is difficult due to the heterogeneous nature of geospatial data modalities (e.g., multi-spectral images of various resolutions, timeseries, weather data) and diversity of tasks (e.g., regression of human activity indicators or detecting forest fires). In this work, we present a roadmap towards the construction of a general-purpose neural architecture (GPNA) with a geospatial inductive bias, pre-trained on large amounts of unlabelled earth observation data in a self-supervised manner. We envision how such a model may facilitate cooperation between members of the community. We show preliminary results on the first step of the roadmap, where we instantiate an architecture that can process a wide variety of geospatial data modalities and demonstrate that it can achieve competitive performance with domain-specific architectures on tasks relating to the U.N.'s Sustainable Development Goals.

A framework is proposed for the unconditional generation of synthetic time series based on learning from a single sample in low-data regime case. The framework aims at capturing the distribution of patches in wavelet scalogram of time series using single image generative models and producing realistic wavelet coefficients for the generation of synthetic time series. It is demonstrated that the framework is effective with respect to fidelity and diversity for time series with insignificant to no trends. Also, the performance is more promising for generating samples with the same duration (reshuffling) rather than longer ones (retargeting).

As multimodal learning finds applications in a wide variety of high-stakes societal tasks, investigating their robustness becomes important. Existing work has focused on understanding the robustness of vision-and-language models to imperceptible variations on benchmark tasks. In this work, we investigate the robustness of multimodal classifiers to cross-modal dilutions - a plausible variation. We develop a model that, given a multimodal (image + text) input, generates additional dilution text that (a) maintains relevance and topical coherence with the image and existing text, and (b) when added to the original text, leads to misclassification of the multimodal input. Via experiments on Crisis Humanitarianism and Sentiment Detection tasks, we find that the performance of task-specific fusion-based multimodal classifiers drops by 23.3% and 22.5%, respectively, in the presence of dilutions generated by our model. Metric-based comparisons with several baselines and human evaluations indicate that our dilutions show higher relevance and topical coherence, while simultaneously being more effective at demonstrating the brittleness of the multimodal classifiers. Our work aims to highlight and encourage further research on the robustness of deep multimodal models to realistic variations, especially in human-facing societal applications. The code and other resources are available at https://claws-lab.github.io/multimodal-robustness/.

Intentionally crafted adversarial samples have effectively exploited weaknesses in deep neural networks. A standard method in adversarial robustness assumes a framework to defend against samples crafted by minimally perturbing a sample such that its corresponding model output changes. These sensitivity attacks exploit the model's sensitivity toward task-irrelevant features. Another form of adversarial sample can be crafted via invariance attacks, which exploit the model underestimating the importance of relevant features. Previous literature has indicated a tradeoff in defending against both attack types within a strictly L_p bounded defense. To promote robustness toward both types of attacks beyond Euclidean distance metrics, we use metric learning to frame adversarial regularization as an optimal transport problem. Our preliminary results indicate that regularizing over invariant perturbations in our framework improves both invariant and sensitivity defense.

Speech quality assessment has been a critical component in many voice communication related applications such as telephony and online conferencing. Traditional intrusive speech quality assessment requires the clean reference of the degraded utterance to provide an accurate quality measurement. This requirement limits the usability of these methods in real-world scenarios. On the other hand, non-intrusive subjective measurement is the ``golden standard" in evaluating speech quality as human listeners can intrinsically evaluate the quality of any degraded speech with ease. In this paper, we propose a novel end-to-end model structure called Convolutional Context-Aware Transformer (CCAT) network to predict the mean opinion score (MOS) of human raters. We evaluate our model on three MOS-annotated datasets spanning multiple languages and distortion types and submit our results to the ConferencingSpeech 2022 Challenge. Our experiments show that CCAT provides promising MOS predictions compared to current state-of-art non-intrusive speech assessment models with average Pearson correlation coefficient (PCC) increasing from 0.530 to 0.697 and average RMSE decreasing from 0.768 to 0.570 compared to the baseline model on the challenge evaluation test set.

Researchers have demonstrated that neural networks are vulnerable to adversarial examples and subtle environment changes, both of which one can view as a form of distribution shift. To humans, the resulting errors can look like blunders, eroding trust in these agents. In prior games research, agent evaluation often focused on the in-practice game outcomes. While valuable, such evaluation typically fails to evaluate robustness to worst-case outcomes. Prior research in computer poker has examined how to assess such worst-case performance, both exactly and approximately. Unfortunately, exact computation is infeasible with larger domains, and existing approximations rely on poker-specific knowledge. We introduce ISMCTS-BR, a scalable search-based deep reinforcement learning algorithm for learning a best response to an agent, thereby approximating worst-case performance. We demonstrate the technique in several two-player zero-sum games against a variety of agents, including several AlphaZero-based agents.

One of the most efficient methods for model compression is hint distillation, where the student model is injected with information (hints) from several different layers of the teacher model. Although the selection of hint points can drastically alter the compression performance, conventional distillation approaches overlook this fact and use the same hint points as in the early studies. Therefore, we propose a clustering based hint selection methodology, where the layers of teacher model are clustered with respect to several metrics and the cluster centers are used as the hint points. Our method is applicable for any student network, once it is applied on a chosen teacher network. The proposed approach is validated in CIFAR-100 and ImageNet datasets, using various teacher-student pairs and numerous hint distillation methods. Our results show that hint points selected by our algorithm results in superior compression performance compared to state-of-the-art knowledge distillation algorithms on the same student models and datasets.

Camera images are ubiquitous in machine learning research. They also play a central role in the delivery of important services spanning medicine and environmental surveying. However, the application of machine learning models in these domains has been limited because of robustness concerns. A primary failure mode are performance drops due to differences between the training and deployment data. While there are methods to prospectively validate the robustness of machine learning models to such dataset drifts, existing approaches do not account for explicit models of the primary object of interest: the data. This makes it difficult to create physically faithful drift test cases or to provide specifications of data models that should be avoided when deploying a machine learning model. In this study, we demonstrate how these shortcomings can be overcome by pairing machine learning robustness validation with physical optics. We examine the role raw sensor data and differentiable data models can play in controlling performance risks related to image dataset drift. The findings are distilled into three applications. First, drift synthesis enables the controlled generation of physically faithful drift test cases. The experiments presented here show that the average decrease in model performance is ten to four times less severe than under post-hoc augmentation testing. Second, the gradient connection between task and data models allows for drift forensics that can be used to specify performance-sensitive data models which should be avoided during deployment of a machine learning model. Third, drift adjustment opens up the possibility for processing adjustments in the face of drift. This can lead to speed up and stabilization of classifier training at a margin of up to 20% in validation accuracy. A guide to access the open code and datasets is available at https://github.com/aiaudit-org/raw2logit.

The emergence of pre-trained language models (PLMs) has shown great success in many Natural Language Processing (NLP) tasks including text classification. Due to the minimal to no feature engineering required when using these models, PLMs are becoming the de facto choice for any NLP task. However, for domain-specific corpora (e.g., financial, legal, and industrial), fine-tuning a pre-trained model for a specific task has shown to provide a performance improvement. In this paper, we compare the performance of four different PLMs on three public domain-free datasets and a real-world dataset containing domain-specific words, against a simple SVM linear classifier with TFIDF vectorized text. The experimental results on the four datasets show that using PLMs, even fine-tuned, do not provide significant gain over the linear SVM classifier. Hence, we recommend that for text classification tasks, traditional SVM along with careful feature engineering can pro-vide a cheaper and superior performance than PLMs.

Emotion recognition using EEG signals is an emerging area of research due to its broad applicability in BCI. Emotional feelings are hard to stimulate in the lab. Emotions do not last long, yet they need enough context to be perceived and felt. However, most EEG-related emotion databases either suffer from emotionally irrelevant details (due to prolonged duration stimulus) or have minimal context doubting the feeling of any emotion using the stimulus. We tried to reduce the impact of this trade-off by designing an experiment in which participants are free to report their emotional feelings simultaneously watching the emotional stimulus. We called these reported emotional feelings "Emotional Events" in our Dataset on Emotion with Naturalistic Stimuli (DENS). We used EEG signals to classify emotional events on different combinations of Valence(V) and Arousal(A) dimensions and compared the results with benchmark datasets of DEAP and SEED. STFT is used for feature extraction and used in the classification model consisting of CNN-LSTM hybrid layers. We achieved significantly higher accuracy with our data compared to DEEP and SEED data. We conclude that having precise information about emotional feelings improves the classification accuracy compared to long-duration EEG signals which might be contaminated by mind-wandering.

Deep neural networks are usually initialized with random weights, with adequately selected initial variance to ensure stable signal propagation during training. However, selecting the appropriate variance becomes challenging especially as the number of layers grows. In this work, we replace random weight initialization with a fully deterministic initialization scheme, viz., ZerO, which initializes the weights of networks with only zeros and ones (up to a normalization factor), based on identity and Hadamard transforms. Through both theoretical and empirical studies, we demonstrate that ZerO is able to train networks without damaging their expressivity. Applying ZerO on ResNet achieves state-of-the-art performance on various datasets, including ImageNet, which suggests random weights may be unnecessary for network initialization. In addition, ZerO has many benefits, such as training ultra deep networks (without batch-normalization), exhibiting low-rank learning trajectories that result in low-rank and sparse solutions, and improving training reproducibility.

Billions of interconnected Internet of Things (IoT) sensors and devices collect tremendous amounts of data from real-world scenarios. Big data is generating increasing interest in a wide range of industries. Once data is analyzed through compute-intensive Machine Learning (ML) methods, it can derive critical business value for organizations. Powerfulplatforms are essential to handle and process such massive collections of information cost-effectively and conveniently. This work introduces a distributed and scalable platform architecture that can be deployed for efficient real-world big data collection and analytics. The proposed system was tested with a case study for Predictive Maintenance of Home Appliances, where current and vibration sensors with high acquisition frequency were connected to washing machines and refrigerators. The introduced platform was used to collect, store, and analyze the data. The experimental results demonstrated that the presented system could be advantageous for tackling real-world IoT scenarios in a cost-effective and local approach.

The substitute-based recommendation is widely used in E-commerce to provide better alternatives to customers. However, existing research typically uses the customer behavior signals like co-view and view-but-purchase-another to capture the substitute relationship. Despite its intuitive soundness, we find that such an approach might ignore the functionality and characteristics of products. In this paper, we adapt substitute recommendation into language matching problem by taking product title description as model input to consider product functionality. We design a new transformation method to de-noise the signals derived from production data. In addition, we consider multilingual support from the engineering point of view. Our proposed end-to-end transformer-based model achieves both successes from offline and online experiments. The proposed model has been deployed in a large-scale E-commerce website for 11 marketplaces in 6 languages. Our proposed model is demonstrated to increase revenue by 19% based on an online A/B experiment.

Recent developments in quantum computing and machine learning have propelled the interdisciplinary study of quantum machine learning. Sequential modeling is an important task with high scientific and commercial value. Existing VQC or QNN-based methods require significant computational resources to perform the gradient-based optimization of a larger number of quantum circuit parameters. The major drawback is that such quantum gradient calculation requires a large amount of circuit evaluation, posing challenges in current near-term quantum hardware and simulation software. In this work, we approach sequential modeling by applying a reservoir computing (RC) framework to quantum recurrent neural networks (QRNN-RC) that are based on classical RNN, LSTM and GRU. The main idea to this RC approach is that the QRNN with randomly initialized weights is treated as a dynamical system and only the final classical linear layer is trained. Our numerical simulations show that the QRNN-RC can reach results comparable to fully trained QRNN models for several function approximation and time series prediction tasks. Since the QRNN training complexity is significantly reduced, the proposed model trains notably faster. In this work we also compare to corresponding classical RNN-based RC implementations and show that the quantum version learns faster by requiring fewer training epochs in most cases. Our results demonstrate a new possibility to utilize quantum neural network for sequential modeling with greater quantum hardware efficiency, an important design consideration for noisy intermediate-scale quantum (NISQ) computers.

We study the problem of inferring user intent from noninvasive electroencephalography (EEG) to restore communication for people with severe speech and physical impairments (SSPI). The focus of this work is improving the estimation of posterior symbol probabilities in a typing task. At each iteration of the typing procedure, a subset of symbols is chosen for the next query based on the current probability estimate. Evidence about the user's response is collected from event-related potentials (ERP) in order to update symbol probabilities, until one symbol exceeds a predefined confidence threshold. We provide a graphical model describing this task, and derive a recursive Bayesian update rule based on a discriminative probability over label vectors for each query, which we approximate using a neural network classifier. We evaluate the proposed method in a simulated typing task and show that it outperforms previous approaches based on generative modeling.

In this paper, we present Pangu-Weather, a deep learning based system for fast and accurate global weather forecast. For this purpose, we establish a data-driven environment by downloading $43$ years of hourly global weather data from the 5th generation of ECMWF reanalysis (ERA5) data and train a few deep neural networks with about $256$ million parameters in total. The spatial resolution of forecast is $0.25^\circ\times0.25^\circ$, comparable to the ECMWF Integrated Forecast Systems (IFS). More importantly, for the first time, an AI-based method outperforms state-of-the-art numerical weather prediction (NWP) methods in terms of accuracy (latitude-weighted RMSE and ACC) of all factors (e.g., geopotential, specific humidity, wind speed, temperature, etc.) and in all time ranges (from one hour to one week). There are two key strategies to improve the prediction accuracy: (i) designing a 3D Earth Specific Transformer (3DEST) architecture that formulates the height (pressure level) information into cubic data, and (ii) applying a hierarchical temporal aggregation algorithm to alleviate cumulative forecast errors. In deterministic forecast, Pangu-Weather shows great advantages for short to medium-range forecast (i.e., forecast time ranges from one hour to one week). Pangu-Weather supports a wide range of downstream forecast scenarios, including extreme weather forecast (e.g., tropical cyclone tracking) and large-member ensemble forecast in real-time. Pangu-Weather not only ends the debate on whether AI-based methods can surpass conventional NWP methods, but also reveals novel directions for improving deep learning weather forecast systems.

A long-standing challenge in artificial intelligence is lifelong learning. In lifelong learning, many tasks are presented in sequence and learners must efficiently transfer knowledge between tasks while avoiding catastrophic forgetting over long lifetimes. On these problems, policy reuse and other multi-policy reinforcement learning techniques can learn many tasks. However, they can generate many temporary or permanent policies, resulting in memory issues. Consequently, there is a need for lifetime-scalable methods that continually refine a policy library of a pre-defined size. This paper presents a first approach to lifetime-scalable policy reuse. To pre-select the number of policies, a notion of task capacity, the maximal number of tasks that a policy can accurately solve, is proposed. To evaluate lifetime policy reuse using this method, two state-of-the-art single-actor base-learners are compared: 1) a value-based reinforcement learner, Deep Q-Network (DQN) or Deep Recurrent Q-Network (DRQN); and 2) an actor-critic reinforcement learner, Proximal Policy Optimisation (PPO) with or without Long Short-Term Memory layer. By selecting the number of policies based on task capacity, D(R)QN achieves near-optimal performance with 6 policies in a 27-task MDP domain and 9 policies in an 18-task POMDP domain; with fewer policies, catastrophic forgetting and negative transfer are observed. Due to slow, monotonic improvement, PPO requires fewer policies, 1 policy for the 27-task domain and 4 policies for the 18-task domain, but it learns the tasks with lower accuracy than D(R)QN. These findings validate lifetime-scalable policy reuse and suggest using D(R)QN for larger and PPO for smaller library sizes.

Alzheimer's Disease (AD), as the most devastating neurodegenerative disease worldwide, has reached nearly 10 million new cases annually. Current technology provides unprecedented opportunities to study the progression and etiology of this disease with the advanced in imaging techniques. With the recent emergence of a society driven by big data and machine learning (ML), researchers have exerted considerable effort to summarize recent advances in ML-based AD diagnosis. Here, we outline some of the most prevalent and recent ML models for assessing the progression of AD and provide insights on the challenges, opportunities, and future directions that could be advantageous to future research in AD using ML.

Neural networks trained with ERM (empirical risk minimization) sometimes learn unintended decision rules, in particular when their training data is biased, i.e., when training labels are strongly correlated with undesirable features. To prevent a network from learning such features, recent methods augment training data such that examples displaying spurious correlations (i.e., bias-aligned examples) become a minority, whereas the other, bias-conflicting examples become prevalent. However, these approaches are sometimes difficult to train and scale to real-world data because they rely on generative models or disentangled representations. We propose an alternative based on mixup, a popular augmentation that creates convex combinations of training examples. Our method, coined SelecMix, applies mixup to contradicting pairs of examples, defined as showing either (i) the same label but dissimilar biased features, or (ii) different labels but similar biased features. Identifying such pairs requires comparing examples with respect to unknown biased features. For this, we utilize an auxiliary contrastive model with the popular heuristic that biased features are learned preferentially during training. Experiments on standard benchmarks demonstrate the effectiveness of the method, in particular when label noise complicates the identification of bias-conflicting examples.

The sensitivity of many physics analyses can be enhanced by constructing discriminants that preferentially select signal events. Such discriminants become much more useful if they are uncorrelated with a set of protected attributes. In this paper we show a normalizing flow conditioned on the protected attributes can be used to find a decorrelated representation for any discriminant. As a normalizing flow is invertible the separation power of the resulting discriminant will be unchanged at any fixed value of the protected attributes. We demonstrate the efficacy of our approach by building supervised jet taggers that produce almost no sculpting in the mass distribution of the background.

Recent advances in coreset methods have shown that a selection of representative datapoints can replace massive volumes of data for Bayesian inference, preserving the relevant statistical information and significantly accelerating subsequent downstream tasks. Existing variational coreset constructions rely on either selecting subsets of the observed datapoints, or jointly performing approximate inference and optimizing pseudodata in the observed space akin to inducing points methods in Gaussian Processes. So far, both approaches are limited by complexities in evaluating their objectives for general purpose models, and require generating samples from a typically intractable posterior over the coreset throughout inference and testing. In this work, we present a black-box variational inference framework for coresets that overcomes these constraints and enables principled application of variational coresets to intractable models, such as Bayesian neural networks. We apply our techniques to supervised learning problems, and compare them with existing approaches in the literature for data summarization and inference.

Human variation in labeling is often considered noise. Annotation projects for machine learning (ML) aim at minimizing human label variation, with the assumption to maximize data quality and in turn optimize and maximize machine learning metrics. However, this conventional practice assumes that there exists a ground truth, and neglects that there exists genuine human variation in labeling due to disagreement, subjectivity in annotation or multiple plausible answers. In this position paper, we argue that this big open problem of human label variation persists and critically needs more attention to move our field forward. This is because human label variation impacts all stages of the ML pipeline: data, modeling and evaluation. However, few works consider all of these dimensions jointly; and existing research is fragmented. We reconcile different previously proposed notions of human label variation, provide a repository of publicly-available datasets with un-aggregated labels, depict approaches proposed so far, identify gaps and suggest ways forward. As datasets are becoming increasingly available, we hope that this synthesized view on the 'problem' will lead to an open discussion on possible strategies to devise fundamentally new directions.

Molecular shape and geometry dictate key biophysical recognition processes, yet many graph neural networks disregard 3D information for molecular property prediction. Here, we propose a new contrastive-learning procedure for graph neural networks, Molecular Contrastive Learning from Shape Similarity (MolCLaSS), that implicitly learns a three-dimensional representation. Rather than directly encoding or targeting three-dimensional poses, MolCLaSS matches a similarity objective based on Gaussian overlays to learn a meaningful representation of molecular shape. We demonstrate how this framework naturally captures key aspects of three-dimensionality that two-dimensional representations cannot and provides an inductive framework for scaffold hopping.

The field of geometric deep learning has had a profound impact on the development of innovative and powerful graph neural network architectures. Disciplines such as computer vision and computational biology have benefited significantly from such methodological advances, which has led to breakthroughs in scientific domains such as protein structure prediction and design. In this work, we introduce GCPNet, a new geometry-complete, SE(3)-equivariant graph neural network designed for 3D graph representation learning. We demonstrate the state-of-the-art utility and expressiveness of our method on six independent datasets designed for three distinct geometric tasks: protein-ligand binding affinity prediction, protein structure ranking, and Newtonian many-body systems modeling. Our results suggest that GCPNet is a powerful, general method for capturing complex geometric and physical interactions within 3D graphs for downstream prediction tasks. The source code, data, and instructions to train new models or reproduce our results are freely available on GitHub.

Development of advance surface Electromyogram (sEMG)-based Human-Machine Interface (HMI) systems is of paramount importance to pave the way towards emergence of futuristic Cyber-Physical-Human (CPH) worlds. In this context, the main focus of recent literature was on development of different Deep Neural Network (DNN)-based architectures that perform Hand Gesture Recognition (HGR) at a macroscopic level (i.e., directly from sEMG signals). At the same time, advancements in acquisition of High-Density sEMG signals (HD-sEMG) have resulted in a surge of significant interest on sEMG decomposition techniques to extract microscopic neural drive information. However, due to complexities of sEMG decomposition and added computational overhead, HGR at microscopic level is less explored than its aforementioned DNN-based counterparts. In this regard, we propose the HYDRA-HGR framework, which is a hybrid model that simultaneously extracts a set of temporal and spatial features through its two independent Vision Transformer (ViT)-based parallel architectures (the so called Macro and Micro paths). The Macro Path is trained directly on the pre-processed HD-sEMG signals, while the Micro path is fed with the p-to-p values of the extracted Motor Unit Action Potentials (MUAPs) of each source. Extracted features at macroscopic and microscopic levels are then coupled via a Fully Connected (FC) fusion layer. We evaluate the proposed hybrid HYDRA-HGR framework through a recently released HD-sEMG dataset, and show that it significantly outperforms its stand-alone counterparts. The proposed HYDRA-HGR framework achieves average accuracy of 94.86% for the 250 ms window size, which is 5.52% and 8.22% higher than that of the Macro and Micro paths, respectively.

We show that it is possible to predict which deep network has generated a given logit vector with accuracy well above chance. We utilize a number of networks on a dataset, initialized with random weights or pretrained weights, as well as fine-tuned networks. A classifier is then trained on the logit vectors of the trained set of this dataset to map the logit vector to the network index that has generated it. The classifier is then evaluated on the test set of the dataset. Results are better with randomly initialized networks, but also generalize to pretrained networks as well as fine-tuned ones. Classification accuracy is higher using unnormalized logits than normalized ones. We find that there is little transfer when applying a classifier to the same networks but with different sets of weights. In addition to help better understand deep networks and the way they encode uncertainty, we anticipate our finding to be useful in some applications (e.g. tailoring an adversarial attack for a certain type of network). Code is available at https://github.com/aliborji/logits.

Resource-disaggregated data centre architectures promise a means of pooling resources remotely within data centres, allowing for both more flexibility and resource efficiency underlying the increasingly important infrastructure-as-a-service business. This can be accomplished by means of using an optically circuit switched backbone in the data centre network (DCN); providing the required bandwidth and latency guarantees to ensure reliable performance when applications are run across non-local resource pools. However, resource allocation in this scenario requires both server-level \emph{and} network-level resource to be co-allocated to requests. The online nature and underlying combinatorial complexity of this problem, alongside the typical scale of DCN topologies, makes exact solutions impossible and heuristic based solutions sub-optimal or non-intuitive to design. We demonstrate that \emph{deep reinforcement learning}, where the policy is modelled by a \emph{graph neural network} can be used to learn effective \emph{network-aware} and \emph{topologically-scalable} allocation policies end-to-end. Compared to state-of-the-art heuristics for network-aware resource allocation, the method achieves up to $20\%$ higher acceptance ratio; can achieve the same acceptance ratio as the best performing heuristic with $3\times$ less networking resources available and can maintain all-around performance when directly applied (with no further training) to DCN topologies with $10^2\times$ more servers than the topologies seen during training.

Deep learning methods have contributed substantially to the rapid advancement of medical image segmentation, the quality of which relies on the suitable design of loss functions. Popular loss functions, including the cross-entropy and dice losses, often fall short of boundary detection, thereby limiting high-resolution downstream applications such as automated diagnoses and procedures. We developed a novel loss function that is tailored to reflect the boundary information to enhance the boundary detection. As the contrast between segmentation and background regions along the classification boundary naturally induces heterogeneity over the pixels, we propose the piece-wise two-sample t-test augmented (PTA) loss that is infused with the statistical test for such heterogeneity. We demonstrate the improved boundary detection power of the PTA loss compared to benchmark losses without a t-test component.

The library scikit-fda is a Python package for Functional Data Analysis (FDA). It provides a comprehensive set of tools for representation, preprocessing, and exploratory analysis of functional data. The library is built upon and integrated in Python's scientific ecosystem. In particular, it conforms to the scikit-learn application programming interface so as to take advantage of the functionality for machine learning provided by this package: pipelines, model selection, and hyperparameter tuning, among others. The scikit-fda package has been released as free and open-source software under a 3-Clause BSD license and is open to contributions from the FDA community. The library's extensive documentation includes step-by-step tutorials and detailed examples of use.

Solar activity is usually caused by the evolution of solar magnetic fields. Magnetic field parameters derived from photospheric vector magnetograms of solar active regions have been used to analyze and forecast eruptive events such as solar flares and coronal mass ejections. Unfortunately, the most recent solar cycle 24 was relatively weak with few large flares, though it is the only solar cycle in which consistent time-sequence vector magnetograms have been available through the Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory (SDO) since its launch in 2010. In this paper, we look into another major instrument, namely the Michelson Doppler Imager (MDI) on board the Solar and Heliospheric Observatory (SOHO) from 1996 to 2010. The data archive of SOHO/MDI covers more active solar cycle 23 with many large flares. However, SOHO/MDI data only has line-of-sight (LOS) magnetograms. We propose a new deep learning method, named MagNet, to learn from combined LOS magnetograms, Bx and By taken by SDO/HMI along with H-alpha observations collected by the Big Bear Solar Observatory (BBSO), and to generate vector components Bx' and By', which would form vector magnetograms with observed LOS data. In this way, we can expand the availability of vector magnetograms to the period from 1996 to present. Experimental results demonstrate the good performance of the proposed method. To our knowledge, this is the first time that deep learning has been used to generate photospheric vector magnetograms of solar active regions for SOHO/MDI using SDO/HMI and H-alpha data.

Deep Forest is a prominent machine learning algorithm known for its high accuracy in forecasting. Compared with deep neural networks, Deep Forest has almost no multiplication operations and has better performance on small datasets. However, due to the deep structure and large forest quantity, it suffers from large amounts of calculation and memory consumption. In this paper, an efficient hardware accelerator is proposed for deep forest models, which is also the first work to implement Deep Forest on FPGA. Firstly, a delicate node computing unit (NCU) is designed to improve inference speed. Secondly, based on NCU, an efficient architecture and an adaptive dataflow are proposed, in order to alleviate the problem of node computing imbalance in the classification process. Moreover, an optimized storage scheme in this design also improves hardware utilization and power efficiency. The proposed design is implemented on an FPGA board, Intel Stratix V, and it is evaluated by two typical datasets, ADULT and Face Mask Detection. The experimental results show that the proposed design can achieve around 40x speedup compared to that on a 40 cores high performance x86 CPU.

Restricted Boltzmann Machines (RBMs) are probabilistic generative models that can be trained by maximum likelihood in principle, but are usually trained by an approximate algorithm called Contrastive Divergence (CD) in practice. In general, a CD-k algorithm estimates an average with respect to the model distribution using a sample obtained from a k-step Markov Chain Monte Carlo Algorithm (e.g., block Gibbs sampling) starting from some initial configuration. Choices of k typically vary from 1 to 100. This technical report explores if it's possible to leverage a simple approximate sampling algorithm with a modified version of CD in order to train an RBM with k=0. As usual, the method is illustrated on MNIST.

The detection of earthquakes is a fundamental prerequisite for seismology and contributes to various research areas, such as forecasting earthquakes and understanding the crust/mantle structure. Recent advances in machine learning technologies have enabled the automatic detection of earthquakes from waveform data. In particular, various state-of-the-art deep-learning methods have been applied to this endeavour. In this study, we proposed and tested a novel phase detection method employing deep learning, which is based on a standard convolutional neural network in a new framework. The novelty of the proposed method is its separate explicit learning strategy for global and local representations of waveforms, which enhances its robustness and flexibility. Prior to modelling the proposed method, we identified local representations of the waveform by the multiple clustering of waveforms, in which the data points were optimally partitioned. Based on this result, we considered a global representation and two local representations of the waveform. Subsequently, different phase detection models were trained for each global and local representation. For a new waveform, the overall phase probability was evaluated as a product of the phase probabilities of each model. This additional information on local representations makes the proposed method robust to noise, which is demonstrated by its application to the test data. Furthermore, an application to seismic swarm data demonstrated the robust performance of the proposed method compared with those of other deep learning methods. Finally, in an application to low-frequency earthquakes, we demonstrated the flexibility of the proposed method, which is readily adaptable for the detection of low-frequency earthquakes by retraining only a local model.

When humans perform contact-rich manipulation tasks, customized tools are often necessary and play an important role in simplifying the task. For instance, in our daily life, we use various utensils for handling food, such as knives, forks and spoons. Similarly, customized tools for robots may enable them to more easily perform a variety of tasks. Here, we present an end-to-end framework to automatically learn tool morphology for contact-rich manipulation tasks by leveraging differentiable physics simulators. Previous work approached this problem by introducing manually constructed priors that required detailed specification of object 3D model, grasp pose and task description to facilitate the search or optimization. In our approach, we instead only need to define the objective with respect to the task performance and enable learning a robust morphology by randomizing the task variations. The optimization is made tractable by casting this as a continual learning problem. We demonstrate the effectiveness of our method for designing new tools in several scenarios such as winding ropes, flipping a box and pushing peas onto a scoop in simulation. We also validate that the shapes discovered by our method help real robots succeed in these scenarios.

Time series motif discovery has been a fundamental task to identify meaningful repeated patterns in time series. Recently, time series chains were introduced as an expansion of time series motifs to identify the continuous evolving patterns in time series data. Informally, a time series chain (TSC) is a temporally ordered set of time series subsequences, in which every subsequence is similar to the one that precedes it, but the last and the first can be arbitrarily dissimilar. TSCs are shown to be able to reveal latent continuous evolving trends in the time series, and identify precursors of unusual events in complex systems. Despite its promising interpretability, unfortunately, we have observed that existing TSC definitions lack the ability to accurately cover the evolving part of a time series: the discovered chains can be easily cut by noise and can include non-evolving patterns, making them impractical in real-world applications. Inspired by a recent work that tracks how the nearest neighbor of a time series subsequence changes over time, we introduce a new TSC definition which is much more robust to noise in the data, in the sense that they can better locate the evolving patterns while excluding the non-evolving ones. We further propose two new quality metrics to rank the discovered chains. With extensive empirical evaluations, we demonstrate that the proposed TSC definition is significantly more robust to noise than the state of the art, and the top ranked chains discovered can reveal meaningful regularities in a variety of real world datasets.

This paper computationally demonstrates a sharp improvement in predictive performance for $k$ nearest neighbors thanks to an efficient forward selection of the predictor variables. We show both simulated and real-world data that this novel repeatedly approaches outperformance regression models under stepwise selection

Development of an accurate, flexible, and numerically efficient uncertainty quantification (UQ) method is one of fundamental challenges in machine learning. Previously, a UQ method called DISCO Nets has been proposed (Bouchacourt et al., 2016), which trains a neural network by minimizing the energy score. In this method, a random noise vector in $\mathbb{R}^{10\text{--}100}$ is concatenated with the original input vector in order to produce a diverse ensemble forecast despite using a single neural network. While this method has shown promising performance on a hand pose estimation task in computer vision, it remained unexplored whether this method works as nicely for regression on tabular data, and how it competes with more recent advanced UQ methods such as NGBoost. In this paper, we propose an improved neural architecture of DISCO Nets that admits faster and more stable training while only using a compact noise vector of dimension $\sim \mathcal{O}(1)$. We benchmark this approach on miscellaneous real-world tabular datasets and confirm that it is competitive with or even superior to standard UQ baselines. Moreover we observe that it exhibits better point forecast performance than a neural network of the same size trained with the conventional mean squared error. As another advantage of the proposed method, we show that local feature importance computation methods such as SHAP can be easily applied to any subregion of the predictive distribution. A new elementary proof for the validity of using the energy score to learn predictive distributions is also provided.

The explosive growth of dynamic and heterogeneous data traffic brings great challenges for 5G and beyond mobile networks. To enhance the network capacity and reliability, we propose a learning-based dynamic time-frequency division duplexing (D-TFDD) scheme that adaptively allocates the uplink and downlink time-frequency resources of base stations (BSs) to meet the asymmetric and heterogeneous traffic demands while alleviating the inter-cell interference. We formulate the problem as a decentralized partially observable Markov decision process (Dec-POMDP) that maximizes the long-term expected sum rate under the users' packet dropping ratio constraints. In order to jointly optimize the global resources in a decentralized manner, we propose a federated reinforcement learning (RL) algorithm named federated Wolpertinger deep deterministic policy gradient (FWDDPG) algorithm. The BSs decide their local time-frequency configurations through RL algorithms and achieve global training via exchanging local RL models with their neighbors under a decentralized federated learning framework. Specifically, to deal with the large-scale discrete action space of each BS, we adopt a DDPG-based algorithm to generate actions in a continuous space, and then utilize Wolpertinger policy to reduce the mapping errors from continuous action space back to discrete action space. Simulation results demonstrate the superiority of our proposed algorithm to benchmark algorithms with respect to system sum rate.

We consider the problem of predictive monitoring (PM), i.e., predicting at runtime the satisfaction of a desired property from the current system's state. Due to its relevance for runtime safety assurance and online control, PM methods need to be efficient to enable timely interventions against predicted violations, while providing correctness guarantees. We introduce \textit{quantitative predictive monitoring (QPM)}, the first PM method to support stochastic processes and rich specifications given in Signal Temporal Logic (STL). Unlike most of the existing PM techniques that predict whether or not some property $\phi$ is satisfied, QPM provides a quantitative measure of satisfaction by predicting the quantitative (aka robust) STL semantics of $\phi$. QPM derives prediction intervals that are highly efficient to compute and with probabilistic guarantees, in that the intervals cover with arbitrary probability the STL robustness values relative to the stochastic evolution of the system. To do so, we take a machine-learning approach and leverage recent advances in conformal inference for quantile regression, thereby avoiding expensive Monte-Carlo simulations at runtime to estimate the intervals. We also show how our monitors can be combined in a compositional manner to handle composite formulas, without retraining the predictors nor sacrificing the guarantees. We demonstrate the effectiveness and scalability of QPM over a benchmark of four discrete-time stochastic processes with varying degrees of complexity.

Uncertainty quantification (UQ) has increasing importance in building robust high-performance and generalizable materials property prediction models. It can also be used in active learning to train better models by focusing on getting new training data from uncertain regions. There are several categories of UQ methods each considering different types of uncertainty sources. Here we conduct a comprehensive evaluation on the UQ methods for graph neural network based materials property prediction and evaluate how they truly reflect the uncertainty that we want in error bound estimation or active learning. Our experimental results over four crystal materials datasets (including formation energy, adsorption energy, total energy, and band gap properties) show that the popular ensemble methods for uncertainty estimation is NOT the best choice for UQ in materials property prediction. For the convenience of the community, all the source code and data sets can be accessed freely at \url{https://github.com/usccolumbia/materialsUQ}.

The kernel function and its hyperparameters are the central model selection choice in a Gaussian proces (Rasmussen and Williams, 2006). Typically, the hyperparameters of the kernel are chosen by maximising the marginal likelihood, an approach known as Type-II maximum likelihood (ML-II). However, ML-II does not account for hyperparameter uncertainty, and it is well-known that this can lead to severely biased estimates and an underestimation of predictive uncertainty. While there are several works which employ a fully Bayesian characterisation of GPs, relatively few propose such approaches for the sparse GPs paradigm. In this work we propose an algorithm for sparse Gaussian process regression which leverages MCMC to sample from the hyperparameter posterior within the variational inducing point framework of Titsias (2009). This work is closely related to Hensman et al. (2015b) but side-steps the need to sample the inducing points, thereby significantly improving sampling efficiency in the Gaussian likelihood case. We compare this scheme against natural baselines in literature along with stochastic variational GPs (SVGPs) along with an extensive computational analysis.

Temporal data like time series are often observed at irregular intervals which is a challenging setting for existing machine learning methods. To tackle this problem, we view such data as samples from some underlying continuous function. We then define a diffusion-based generative model that adds noise from a predefined stochastic process while preserving the continuity of the resulting underlying function. A neural network is trained to reverse this process which allows us to sample new realizations from the learned distribution. We define suitable stochastic processes as noise sources and introduce novel denoising and score-matching models on processes. Further, we show how to apply this approach to the multivariate probabilistic forecasting and imputation tasks. Through our extensive experiments, we demonstrate that our method outperforms previous models on synthetic and real-world datasets.

Kidney transplantation is the preferred treatment for people suffering from end-stage renal disease. Successful kidney transplants still fail over time, known as graft failure; however, the time to graft failure, or graft survival time, can vary significantly between different recipients. A significant biological factor affecting graft survival times is the compatibility between the human leukocyte antigens (HLAs) of the donor and recipient. We propose to model HLA compatibility using a network, where the nodes denote different HLAs of the donor and recipient, and edge weights denote compatibilities of the HLAs, which can be positive or negative. The network is indirectly observed, as the edge weights are estimated from transplant outcomes rather than directly observed. We propose a latent space model for such indirectly-observed weighted and signed networks. We demonstrate that our latent space model can not only result in more accurate estimates of HLA compatibilities, but can also be incorporated into survival analysis models to improve accuracy for the downstream task of predicting graft survival times.

Modern speech enhancement (SE) networks typically implement noise suppression through time-frequency masking, latent representation masking, or discriminative signal prediction. In contrast, some recent works explore SE via generative speech synthesis, where the system's output is synthesized by a neural vocoder after an inherently lossy feature-denoising step. In this paper, we propose a denoising vocoder (DeVo) approach, where a vocoder accepts noisy representations and learns to directly synthesize clean speech. We leverage rich representations from self-supervised learning (SSL) speech models to discover relevant features. We conduct a candidate search across 15 potential SSL front-ends and subsequently train our vocoder adversarially with the best SSL configuration. Additionally, we demonstrate a causal version capable of running on streaming audio with 10ms latency and minimal performance degradation. Finally, we conduct both objective evaluations and subjective listening studies to show our system improves objective metrics and outperforms an existing state-of-the-art SE model subjectively.

We present the first neural network model to achieve real-time and streaming target sound extraction. To accomplish this, we propose Waveformer, an encoder-decoder architecture with a stack of dilated causal convolution layers as the encoder, and a transformer decoder layer as the decoder. This hybrid architecture uses dilated causal convolutions for processing large receptive fields in a computationally efficient manner, while also benefiting from the performance transformer-based architectures provide. Our evaluations show as much as 2.2-3.3 dB improvement in SI-SNRi compared to the prior models for this task while having a 1.2-4x smaller model size and a 1.5-2x lower runtime. Open-source code and datasets: https://github.com/vb000/Waveformer

Machine learning is the study of computer algorithms that can automatically improve based on data and experience. Machine learning algorithms build a model from sample data, called training data, to make predictions or judgments without being explicitly programmed to do so. A variety of wellknown machine learning algorithms have been developed for use in the field of computer science to analyze data. This paper introduced a new machine learning algorithm called impact learning. Impact learning is a supervised learning algorithm that can be consolidated in both classification and regression problems. It can furthermore manifest its superiority in analyzing competitive data. This algorithm is remarkable for learning from the competitive situation and the competition comes from the effects of autonomous features. It is prepared by the impacts of the highlights from the intrinsic rate of natural increase (RNI). We, moreover, manifest the prevalence of the impact learning over the conventional machine learning algorithm.

Model-based reinforcement learning (RL) methods are appealing in the offline setting because they allow an agent to reason about the consequences of actions without interacting with the environment. Prior methods learn a 1-step dynamics model, which predicts the next state given the current state and action. These models do not immediately tell the agent which actions to take, but must be integrated into a larger RL framework. Can we model the environment dynamics in a different way, such that the learned model does directly indicate the value of each action? In this paper, we propose Contrastive Value Learning (CVL), which learns an implicit, multi-step model of the environment dynamics. This model can be learned without access to reward functions, but nonetheless can be used to directly estimate the value of each action, without requiring any TD learning. Because this model represents the multi-step transitions implicitly, it avoids having to predict high-dimensional observations and thus scales to high-dimensional tasks. Our experiments demonstrate that CVL outperforms prior offline RL methods on complex continuous control benchmarks.

Named Entity Recognition and Intent Classification are among the most important subfields of the field of Natural Language Processing. Recent research has lead to the development of faster, more sophisticated and efficient models to tackle the problems posed by those two tasks. In this work we explore the effectiveness of two separate families of Deep Learning networks for those tasks: Bidirectional Long Short-Term networks and Transformer-based networks. The models were trained and tested on the ATIS benchmark dataset for both English and Greek languages. The purpose of this paper is to present a comparative study of the two groups of networks for both languages and showcase the results of our experiments. The models, being the current state-of-the-art, yielded impressive results and achieved high performance.

Skill-based reinforcement learning (RL) has emerged as a promising strategy to leverage prior knowledge for accelerated robot learning. Skills are typically extracted from expert demonstrations and are embedded into a latent space from which they can be sampled as actions by a high-level RL agent. However, this skill space is expansive, and not all skills are relevant for a given robot state, making exploration difficult. Furthermore, the downstream RL agent is limited to learning structurally similar tasks to those used to construct the skill space. We firstly propose accelerating exploration in the skill space using state-conditioned generative models to directly bias the high-level agent towards only sampling skills relevant to a given state based on prior experience. Next, we propose a low-level residual policy for fine-grained skill adaptation enabling downstream RL agents to adapt to unseen task variations. Finally, we validate our approach across four challenging manipulation tasks that differ from those used to build the skill space, demonstrating our ability to learn across task variations while significantly accelerating exploration, outperforming prior works. Code and videos are available on our project website: https://krishanrana.github.io/reskill.

In recent years, graph neural networks (GNNs) have emerged as a promising tool for solving machine learning problems on graphs. Most GNNs are members of the family of message passing neural networks (MPNNs). There is a close connection between these models and the Weisfeiler-Leman (WL) test of isomorphism, an algorithm that can successfully test isomorphism for a broad class of graphs. Recently, much research has focused on measuring the expressive power of GNNs. For instance, it has been shown that standard MPNNs are at most as powerful as WL in terms of distinguishing non-isomorphic graphs. However, these studies have largely ignored the distances between the representations of nodes/graphs which are of paramount importance for learning tasks. In this paper, we define a distance function between nodes which is based on the hierarchy produced by the WL algorithm, and propose a model that learns representations which preserve those distances between nodes. Since the emerging hierarchy corresponds to a tree, to learn these representations, we capitalize on recent advances in the field of hyperbolic neural networks. We empirically evaluate the proposed model on standard node and graph classification datasets where it achieves competitive performance with state-of-the-art models.

Adaptive optimization methods are well known to achieve superior convergence relative to vanilla gradient methods. The traditional viewpoint in optimization, particularly in convex optimization, explains this improved performance by arguing that, unlike vanilla gradient schemes, adaptive algorithms mimic the behavior of a second-order method by adapting to the global geometry of the loss function. We argue that in the context of neural network optimization, this traditional viewpoint is insufficient. Instead, we advocate for a local trajectory analysis. For iterate trajectories produced by running a generic optimization algorithm OPT, we introduce $R^{\text{OPT}}_{\text{med}}$, a statistic that is analogous to the condition number of the loss Hessian evaluated at the iterates. Through extensive experiments, we show that adaptive methods such as Adam bias the trajectories towards regions where $R^{\text{Adam}}_{\text{med}}$ is small, where one might expect faster convergence. By contrast, vanilla gradient methods like SGD bias the trajectories towards regions where $R^{\text{SGD}}_{\text{med}}$ is comparatively large. We complement these empirical observations with a theoretical result that provably demonstrates this phenomenon in the simplified setting of a two-layer linear network. We view our findings as evidence for the need of a new explanation of the success of adaptive methods, one that is different than the conventional wisdom.

In this paper, we present a new theoretical approach for enabling domain knowledge acquisition by intelligent systems. We introduce a hybrid model that starts with minimal input knowledge in the form of an upper ontology of concepts, stores and reasons over this knowledge through a knowledge graph database and learns new information through a Logic Neural Network. We study the behavior of this architecture when handling new data and show that the final system is capable of enriching its current knowledge as well as extending it to new domains.

Motor imagery (MI) classification is one of the most widely-concern research topics in Electroencephalography (EEG)-based brain-computer interfaces (BCIs) with extensive industry value. The MI-EEG classifiers' tendency has changed fundamentally over the past twenty years, while classifiers' performance is gradually increasing. In particular, owing to the need for characterizing signals' non-Euclidean inherence, the first geometric deep learning (GDL) framework, Tensor-CSPNet, has recently emerged in the BCI study. In essence, Tensor-CSPNet is a deep learning-based classifier on the second-order statistics of EEGs. In contrast to the first-order statistics, using these second-order statistics is the classical treatment of EEG signals, and the discriminative information contained in these second-order statistics is adequate for MI-EEG classification. In this study, we present another GDL classifier for MI-EEG classification called Graph-CSPNet, using graph-based techniques to simultaneously characterize the EEG signals in both the time and frequency domains. It is realized from the perspective of the time-frequency analysis that profoundly influences signal processing and BCI studies. Contrary to Tensor-CSPNet, the architecture of Graph-CSPNet is further simplified with more flexibility to cope with variable time-frequency resolution for signal segmentation to capture the localized fluctuations. In the experiments, Graph-CSPNet is evaluated on subject-specific scenarios from two well-used MI-EEG datasets and produces near-optimal classification accuracies.

While text-to-image synthesis currently enjoys great popularity among researchers and the general public, the security of these models has been neglected so far. Many text-guided image generation models rely on pre-trained text encoders from external sources, and their users trust that the retrieved models will behave as promised. Unfortunately, this might not be the case. We introduce backdoor attacks against text-guided generative models and demonstrate that their text encoders pose a major tampering risk. Our attacks only slightly alter an encoder so that no suspicious model behavior is apparent for image generations with clean prompts. By then inserting a single non-Latin character into the prompt, the adversary can trigger the model to either generate images with pre-defined attributes or images following a hidden, potentially malicious description. We empirically demonstrate the high effectiveness of our attacks on Stable Diffusion and highlight that the injection process of a single backdoor takes less than two minutes. Besides phrasing our approach solely as an attack, it can also force an encoder to forget phrases related to certain concepts, such as nudity or violence, and help to make image generation safer.

Recurrent Neural Networks (RNNs) have been widely applied to deal with temporal problems, such as flood forecasting and financial data processing. On the one hand, traditional RNNs models amplify the gradient issue due to the strict time serial dependency, making it difficult to realize a long-term memory function. On the other hand, RNNs cells are highly complex, which will significantly increase computational complexity and cause waste of computational resources during model training. In this paper, an improved Time Feedforward Connections Recurrent Neural Networks (TFC-RNNs) model was first proposed to address the gradient issue. A parallel branch was introduced for the hidden state at time t-2 to be directly transferred to time t without the nonlinear transformation at time t-1. This is effective in improving the long-term dependence of RNNs. Then, a novel cell structure named Single Gate Recurrent Unit (SGRU) was presented. This cell structure can reduce the number of parameters for RNNs cell, consequently reducing the computational complexity. Next, applying SGRU to TFC-RNNs as a new TFC-SGRU model solves the above two difficulties. Finally, the performance of our proposed TFC-SGRU was verified through several experiments in terms of long-term memory and anti-interference capabilities. Experimental results demonstrated that our proposed TFC-SGRU model can capture helpful information with time step 1500 and effectively filter out the noise. The TFC-SGRU model accuracy is better than the LSTM and GRU models regarding language processing ability.

We consider distributed linear bandits where $M$ agents learn collaboratively to minimize the overall cumulative regret incurred by all agents. Information exchange is facilitated by a central server, and both the uplink and downlink communications are carried over channels with fixed capacity, which limits the amount of information that can be transmitted in each use of the channels. We investigate the regret-communication trade-off by (i) establishing information-theoretic lower bounds on the required communications (in terms of bits) for achieving a sublinear regret order; (ii) developing an efficient algorithm that achieves the minimum sublinear regret order offered by centralized learning using the minimum order of communications dictated by the information-theoretic lower bounds. For sparse linear bandits, we show a variant of the proposed algorithm offers better regret-communication trade-off by leveraging the sparsity of the problem.

Named entity recognition models (NER), are widely used for identifying named entities (e.g., individuals, locations, and other information) in text documents. Machine learning based NER models are increasingly being applied in privacy-sensitive applications that need automatic and scalable identification of sensitive information to redact text for data sharing. In this paper, we study the setting when NER models are available as a black-box service for identifying sensitive information in user documents and show that these models are vulnerable to membership inference on their training datasets. With updated pre-trained NER models from spaCy, we demonstrate two distinct membership attacks on these models. Our first attack capitalizes on unintended memorization in the NER's underlying neural network, a phenomenon NNs are known to be vulnerable to. Our second attack leverages a timing side-channel to target NER models that maintain vocabularies constructed from the training data. We show that different functional paths of words within the training dataset in contrast to words not previously seen have measurable differences in execution time. Revealing membership status of training samples has clear privacy implications, e.g., in text redaction, sensitive words or phrases to be found and removed, are at risk of being detected in the training dataset. Our experimental evaluation includes the redaction of both password and health data, presenting both security risks and privacy/regulatory issues. This is exacerbated by results that show memorization with only a single phrase. We achieved 70% AUC in our first attack on a text redaction use-case. We also show overwhelming success in the timing attack with 99.23% AUC. Finally we discuss potential mitigation approaches to realize the safe use of NER models in light of the privacy and security implications of membership inference attacks.

Besides accuracy, recent studies on machine learning models have been addressing the question on how the obtained results can be interpreted. Indeed, while complex machine learning models are able to provide very good results in terms of accuracy even in challenging applications, it is difficult to interpret them. Aiming at providing some interpretability for such models, one of the most famous methods, called SHAP, borrows the Shapley value concept from game theory in order to locally explain the predicted outcome of an instance of interest. As the SHAP values calculation needs previous computations on all possible coalitions of attributes, its computational cost can be very high. Therefore, a SHAP-based method called Kernel SHAP adopts an efficient strategy that approximate such values with less computational effort. In this paper, we also address local interpretability in machine learning based on Shapley values. Firstly, we provide a straightforward formulation of a SHAP-based method for local interpretability by using the Choquet integral, which leads to both Shapley values and Shapley interaction indices. Moreover, we also adopt the concept of $k$-additive games from game theory, which contributes to reduce the computational effort when estimating the SHAP values. The obtained results attest that our proposal needs less computations on coalitions of attributes to approximate the SHAP values.

Model-Based Reinforcement Learning (RL) is widely believed to have the potential to improve sample efficiency by allowing an agent to synthesize large amounts of imagined experience. Experience Replay (ER) can be considered a simple kind of model, which has proved extremely effective at improving the stability and efficiency of deep RL. In principle, a learned parametric model could improve on ER by generalizing from real experience to augment the dataset with additional plausible experience. However, owing to the many design choices involved in empirically successful algorithms, it can be very hard to establish where the benefits are actually coming from. Here, we provide theoretical and empirical insight into when, and how, we can expect data generated by a learned model to be useful. First, we provide a general theorem motivating how learning a model as an intermediate step can narrow down the set of possible value functions more than learning a value function directly from data using the Bellman equation. Second, we provide an illustrative example showing empirically how a similar effect occurs in a more concrete setting with neural network function approximation. Finally, we provide extensive experiments showing the benefit of model-based learning for online RL in environments with combinatorial complexity, but factored structure that allows a learned model to generalize. In these experiments, we take care to control for other factors in order to isolate, insofar as possible, the benefit of using experience generated by a learned model relative to ER alone.

Various forms of regularization in learning tasks strive for different notions of simplicity. This paper presents a spectral regularization technique, which attaches a unique inductive bias to sequence modeling based on an intuitive concept of simplicity defined in the Chomsky hierarchy. From fundamental connections between Hankel matrices and regular grammars, we propose to use the trace norm of the Hankel matrix, the tightest convex relaxation of its rank, as the spectral regularizer. To cope with the fact that the Hankel matrix is bi-infinite, we propose an unbiased stochastic estimator for its trace norm. Ultimately, we demonstrate experimental results on Tomita grammars, which exhibit the potential benefits of spectral regularization and validate the proposed stochastic estimator.

Transformer models have achieved great success across many NLP problems. However, previous studies in automated ICD coding concluded that these models fail to outperform some of the earlier solutions such as CNN-based models. In this paper we challenge this conclusion. We present a simple and scalable method to process long text with the existing transformer models such as BERT. We show that this method significantly improves the previous results reported for transformer models in ICD coding, and is able to outperform one of the prominent CNN-based methods.

In this work, we explore combining automatic hyperparameter tuning and optimization for federated learning (FL) in an online, one-shot procedure. We apply a principled approach on a method for adaptive client learning rate, number of local steps, and batch size. In our federated learning applications, our primary motivations are minimizing communication budget as well as local computational resources in the training pipeline. Conventionally, hyperparameter tuning methods involve at least some degree of trial-and-error, which is known to be sample inefficient. In order to address our motivations, we propose FATHOM (Federated AuTomatic Hyperparameter OptiMization) as a one-shot online procedure. We investigate the challenges and solutions of deriving analytical gradients with respect to the hyperparameters of interest. Our approach is inspired by the fact that, with the exception of local data, we have full knowledge of all components involved in our training process, and this fact can be exploited in our algorithm impactfully. We show that FATHOM is more communication efficient than Federated Averaging (FedAvg) with optimized, static valued hyperparameters, and is also more computationally efficient overall. As a communication efficient, one-shot online procedure, FATHOM solves the bottleneck of costly communication and limited local computation, by eliminating a potentially wasteful tuning process, and by optimizing the hyperparamters adaptively throughout the training procedure without trial-and-error. We show our numerical results through extensive empirical experiments with the Federated EMNIST-62 (FEMNIST) and Federated Stack Overflow (FSO) datasets, using FedJAX as our baseline framework.

We present a Quality-Diversity benchmark suite for Deep Neuroevolution in Reinforcement Learning domains for robot control. The suite includes the definition of tasks, environments, behavioral descriptors, and fitness. We specify different benchmarks based on the complexity of both the task and the agent controlled by a deep neural network. The benchmark uses standard Quality-Diversity metrics, including coverage, QD-score, maximum fitness, and an archive profile metric to quantify the relation between coverage and fitness. We also present how to quantify the robustness of the solutions with respect to environmental stochasticity by introducing corrected versions of the same metrics. We believe that our benchmark is a valuable tool for the community to compare and improve their findings. The source code is available online: https://github.com/adaptive-intelligent-robotics/QDax

In the medical field, multi-center collaborations are often sought to yield more generalizable findings by leveraging the heterogeneity of patient and clinical data. However, recent privacy regulations hinder the possibility to share data, and consequently, to come up with machine learning-based solutions that support diagnosis and prognosis. Federated learning (FL) aims at sidestepping this limitation by bringing AI-based solutions to data owners and only sharing local AI models, or parts thereof, that need then to be aggregated. However, most of the existing federated learning solutions are still at their infancy and show several shortcomings, from the lack of a reliable and effective aggregation scheme able to retain the knowledge learned locally to weak privacy preservation as real data may be reconstructed from model updates. Furthermore, the majority of these approaches, especially those dealing with medical data, relies on a centralized distributed learning strategy that poses robustness, scalability and trust issues. In this paper we present a federated and decentralized learning strategy, FedER, that, exploiting experience replay and generative adversarial concepts, effectively integrates features from local nodes, providing models able to generalize across multiple datasets while maintaining privacy. FedER is tested on two tasks -- tuberculosis and melanoma classification -- using multiple datasets in order to simulate realistic non-i.i.d. medical data scenarios. Results show that our approach achieves performance comparable to standard (non-federated) learning and significantly outperforms state-of-the-art federated methods in their centralized (thus, more favourable) formulation. Code is available at https://github.com/perceivelab/FedER

The FAIR Guiding Principles aim to improve the findability, accessibility, interoperability, and reusability of digital content by making them both human and machine actionable. However, these principles have not yet been broadly adopted in the domain of machine learning-based program analyses and optimizations for High-Performance Computing (HPC). In this paper, we design a methodology to make HPC datasets and machine learning models FAIR after investigating existing FAIRness assessment and improvement techniques. Our methodology includes a comprehensive, quantitative assessment for elected data, followed by concrete, actionable suggestions to improve FAIRness with respect to common issues related to persistent identifiers, rich metadata descriptions, license and provenance information. Moreover, we select a representative training dataset to evaluate our methodology. The experiment shows the methodology can effectively improve the dataset and model's FAIRness from an initial score of 19.1% to the final score of 83.0%.

In this work, we propose MUSTACHE, a new page cache replacement algorithm whose logic is learned from observed memory access requests rather than fixed like existing policies. We formulate the page request prediction problem as a categorical time series forecasting task. Then, our method queries the learned page request forecaster to obtain the next $k$ predicted page memory references to better approximate the optimal B\'el\'ady's replacement algorithm. We implement several forecasting techniques using advanced deep learning architectures and integrate the best-performing one into an existing open-source cache simulator. Experiments run on benchmark datasets show that MUSTACHE outperforms the best page replacement heuristic (i.e., exact LRU), improving the cache hit ratio by 1.9% and reducing the number of reads/writes required to handle cache misses by 18.4% and 10.3%.

As the performance of large language models rapidly improves, benchmarks are getting larger and more complex as well. We present LMentry, a benchmark that avoids this "arms race" by focusing on a compact set of tasks that are trivial to humans, e.g. writing a sentence containing a specific word, identifying which words in a list belong to a specific category, or choosing which of two words is longer. LMentry is specifically designed to provide quick and interpretable insights into the capabilities and robustness of large language models. Our experiments reveal a wide variety of failure cases that, while immediately obvious to humans, pose a considerable challenge for large language models, including OpenAI's latest 175B-parameter instruction-tuned model, TextDavinci002. LMentry complements contemporary evaluation approaches of large language models, providing a quick, automatic, and easy-to-run "unit test", without resorting to large benchmark suites of complex tasks.  ( 2 min )

The effective receptive field of a fully convolutional neural network is an important consideration when designing an architecture, as it defines the portion of the input visible to each convolutional kernel. We propose a neural network module, extending traditional skip connections, called the translated skip connection. Translated skip connections geometrically increase the receptive field of an architecture with negligible impact on both the size of the parameter space and computational complexity. By embedding translated skip connections into a benchmark architecture, we demonstrate that our module matches or outperforms four other approaches to expanding the effective receptive fields of fully convolutional neural networks. We confirm this result across five contemporary image segmentation datasets from disparate domains, including the detection of COVID-19 infection, segmentation of aerial imagery, common object segmentation, and segmentation for self-driving cars.  ( 2 min )

Self-supervised pre-training recently demonstrates success on large-scale multimodal data, and state-of-the-art contrastive learning methods often enforce the feature consistency from cross-modality inputs, such as video/audio or video/text pairs. Despite its convenience to formulate and leverage in practice, such cross-modality alignment (CMA) is only a weak and noisy supervision, since two modalities can be semantically misaligned even they are temporally aligned. For example, even in the commonly adopted instructional videos, a speaker can sometimes refer to something that is not visually present in the current frame; and the semantic misalignment would only be more unpredictable for the raw videos from the internet. We conjecture that might cause conflicts and biases among modalities, and may hence prohibit CMA from scaling up to training with larger and more heterogeneous data. This paper first verifies our conjecture by observing that, even in the latest VATT pre-training using only instructional videos, there exist strong gradient conflicts between different CMA losses within the same video, audio, text triplet, indicating them as the noisy source of supervision. We then propose to harmonize such gradients, via two techniques: (i) cross-modality gradient realignment: modifying different CMA loss gradients for each sample triplet, so that their gradient directions are more aligned; and (ii) gradient-based curriculum learning: leveraging the gradient conflict information on an indicator of sample noisiness, to develop a curriculum learning strategy to prioritize training on less noisy sample triplets. Applying those techniques to pre-training VATT on the HowTo100M dataset, we consistently improve its performance on different downstream tasks. Moreover, we are able to scale VATT pre-training to more complicated non-narrative Youtube8M dataset to further improve the state-of-the-arts.  ( 3 min )

The goal of autonomous vehicles is to navigate public roads safely and comfortably. To enforce safety, traditional planning approaches rely on handcrafted rules to generate trajectories. Machine learning-based systems, on the other hand, scale with data and are able to learn more complex behaviors. However, they often ignore that agents and self-driving vehicle trajectory distributions can be leveraged to improve safety. In this paper, we propose modeling a distribution over multiple future trajectories for both the self-driving vehicle and other road agents, using a unified neural network architecture for prediction and planning. During inference, we select the planning trajectory that minimizes a cost taking into account safety and the predicted probabilities. Our approach does not depend on any rule-based planners for trajectory generation or optimization, improves with more training data and is simple to implement. We extensively evaluate our method through a realistic simulator and show that the predicted trajectory distribution corresponds to different driving profiles. We also successfully deploy it on a self-driving vehicle on urban public roads, confirming that it drives safely without compromising comfort. The code for training and testing our model on a public prediction dataset and the video of the road test are available at https://woven.mobi/safepathnet  ( 2 min )

We consider a class of Riemannian optimization problems where the objective is the sum of a smooth function and a nonsmooth function, considered in the ambient space. This class of problems finds important applications in machine learning and statistics such as the sparse principal component analysis, sparse spectral clustering, and orthogonal dictionary learning. We propose a Riemannian alternating direction method of multipliers (ADMM) to solve this class of problems. Our algorithm adopts easily computable steps in each iteration. The iteration complexity of the proposed algorithm for obtaining an $\epsilon$-stationary point is analyzed under mild assumptions. To the best of our knowledge, this is the first Riemannian ADMM with provable convergence guarantee for solving Riemannian optimization problem with nonsmooth objective. Numerical experiments are conducted to demonstrate the advantage of the proposed method.  ( 2 min )

We study the convergence of several natural policy gradient (NPG) methods in infinite-horizon discounted Markov decision processes with regular policy parametrizations. For a variety of NPGs and reward functions we show that the trajectories in state-action space are solutions of gradient flows with respect to Hessian geometries, based on which we obtain global convergence guarantees and convergence rates. In particular, we show linear convergence for unregularized and regularized NPG flows with the metrics proposed by Kakade and Morimura and co-authors by observing that these arise from the Hessian geometries of conditional entropy and entropy respectively. Further, we obtain sublinear convergence rates for Hessian geometries arising from other convex functions like log-barriers. Finally, we interpret the discrete-time NPG methods with regularized rewards as inexact Newton methods if the NPG is defined with respect to the Hessian geometry of the regularizer. This yields local quadratic convergence rates of these methods for step size equal to the penalization strength.  ( 2 min )

Persistent Memory (PMEM), also known as Non-Volatile Memory (NVM), can deliver higher density and lower cost per bit when compared with DRAM. Its main drawback is that it is typically slower than DRAM. On the other hand, DRAM has scalability problems due to its cost and energy consumption. Soon, PMEM will likely coexist with DRAM in computer systems but the biggest challenge is to know which data to allocate on each type of memory. This paper describes a methodology for identifying and characterizing application objects that have the most influence on the application's performance using Intel Optane DC Persistent Memory. In the first part of our work, we built a tool that automates the profiling and analysis of application objects. In the second part, we build a machine learning model to predict the most critical object within large-scale graph-based applications. Our results show that using isolated features does not bring the same benefit compared to using a carefully chosen set of features. By performing data placement using our predictive model, we can reduce the execution time degradation by 12\% (average) and 30\% (max) when compared to the baseline's approach based on LLC misses indicator.  ( 2 min )

Given an environment (e.g., a simulator) for evaluating samples in a specified design space and a set of weighted evaluation metrics -- one can use Theta-Resonance, a single-step Markov Decision Process (MDP), to train an intelligent agent producing progressively more optimal samples. In Theta-Resonance, a neural network consumes a constant input tensor and produces a policy as a set of conditional probability density functions (PDFs) for sampling each design dimension. We specialize existing policy gradient algorithms in deep reinforcement learning (D-RL) in order to use evaluation feedback (in terms of cost, penalty or reward) to update our policy network with robust algorithmic stability and minimal design evaluations. We study multiple neural architectures (for our policy network) within the context of a simple SoC design space and propose a method of constructing synthetic space exploration problems to compare and improve design space exploration (DSE) algorithms. Although we only present categorical design spaces, we also outline how to use Theta-Resonance in order to explore continuous and mixed continuous-discrete design spaces.  ( 2 min )

The field of geometric deep learning has had a profound impact on the development of innovative and powerful graph neural network architectures. Disciplines such as computer vision and computational biology have benefited significantly from such methodological advances, which has led to breakthroughs in scientific domains such as protein structure prediction and design. In this work, we introduce GCPNet, a new geometry-complete, SE(3)-equivariant graph neural network designed for 3D graph representation learning. We demonstrate the state-of-the-art utility and expressiveness of our method on six independent datasets designed for three distinct geometric tasks: protein-ligand binding affinity prediction, protein structure ranking, and Newtonian many-body systems modeling. Our results suggest that GCPNet is a powerful, general method for capturing complex geometric and physical interactions within 3D graphs for downstream prediction tasks. The source code, data, and instructions to train new models or reproduce our results are freely available on GitHub.

We discuss an application of Generalized Random Forests (GRF) proposed by Athey et al.(2019) to quantile regression for time series data. We extracted the theoretical results of the GRF consistency for i.i.d. data to time series data. In particular, in the main theorem, based only on the general assumptions for time series data in Davis and Nielsen (2020), and trees in Athey et al.(2019), we show that the tsQRF (time series Quantile Regression Forests) estimator is consistent. Davis and Nielsen (2020) also discussed the estimation problem using Random Forests (RF) for time series data, but the construction procedure of the RF treated by the GRF is essentially different, and different ideas are used throughout the theoretical proof. In addition, a simulation and real data analysis were conducted.In the simulation, the accuracy of the conditional quantile estimation was evaluated under time series models. In the real data using the Nikkei Stock Average, our estimator is demonstrated to be more sensitive than the others in terms of volatility, thus preventing underestimation of risk.  ( 2 min )

Adaptive optimization methods are well known to achieve superior convergence relative to vanilla gradient methods. The traditional viewpoint in optimization, particularly in convex optimization, explains this improved performance by arguing that, unlike vanilla gradient schemes, adaptive algorithms mimic the behavior of a second-order method by adapting to the global geometry of the loss function. We argue that in the context of neural network optimization, this traditional viewpoint is insufficient. Instead, we advocate for a local trajectory analysis. For iterate trajectories produced by running a generic optimization algorithm OPT, we introduce $R^{\text{OPT}}_{\text{med}}$, a statistic that is analogous to the condition number of the loss Hessian evaluated at the iterates. Through extensive experiments, we show that adaptive methods such as Adam bias the trajectories towards regions where $R^{\text{Adam}}_{\text{med}}$ is small, where one might expect faster convergence. By contrast, vanilla gradient methods like SGD bias the trajectories towards regions where $R^{\text{SGD}}_{\text{med}}$ is comparatively large. We complement these empirical observations with a theoretical result that provably demonstrates this phenomenon in the simplified setting of a two-layer linear network. We view our findings as evidence for the need of a new explanation of the success of adaptive methods, one that is different than the conventional wisdom.  ( 2 min )

Despite recent progress made by self-supervised methods in representation learning with residual networks, they still underperform supervised learning on the ImageNet classification benchmark, limiting their applicability in performance-critical settings. Building on prior theoretical insights from ReLIC [Mitrovic et al., 2021], we include additional inductive biases into self-supervised learning. We propose a new self-supervised representation learning method, ReLICv2, which combines an explicit invariance loss with a contrastive objective over a varied set of appropriately constructed data views to avoid learning spurious correlations and obtain more informative representations. ReLICv2 achieves $77.1\%$ top-$1$ accuracy on ImageNet under linear evaluation on a ResNet50, thus improving the previous state-of-the-art by absolute $+1.5\%$; on larger ResNet models, ReLICv2 achieves up to $80.6\%$ outperforming previous self-supervised approaches with margins up to $+2.3\%$. Most notably, ReLICv2 is the first unsupervised representation learning method to consistently outperform the supervised baseline in a like-for-like comparison over a range of ResNet architectures. Using ReLICv2, we also learn more robust and transferable representations that generalize better out-of-distribution than previous work, both on image classification and semantic segmentation. Finally, we show that despite using ResNet encoders, ReLICv2 is comparable to state-of-the-art self-supervised vision transformers.  ( 3 min )

Real engineering and scientific applications often involve one or more qualitative inputs. Standard Gaussian processes (GPs), however, cannot directly accommodate qualitative inputs. The recently introduced latent variable Gaussian process (LVGP) overcomes this issue by first mapping each qualitative factor to underlying latent variables (LVs), and then uses any standard GP covariance function over these LVs. The LVs are estimated similarly to the other GP hyperparameters through maximum likelihood estimation, and then plugged into the prediction expressions. However, this plug-in approach will not account for uncertainty in estimation of the LVs, which can be significant especially with limited training data. In this work, we develop a fully Bayesian approach for the LVGP model and for visualizing the effects of the qualitative inputs via their LVs. We also develop approximations for scaling up LVGPs and fully Bayesian inference for the LVGP hyperparameters. We conduct numerical studies comparing plug-in inference against fully Bayesian inference over a few engineering models and material design applications. In contrast to previous studies on standard GP modeling that have largely concluded that a fully Bayesian treatment offers limited improvements, our results show that for LVGP modeling it offers significant improvements in prediction accuracy and uncertainty quantification over the plug-in approach.  ( 2 min )

Using functional magnetic resonance imaging (fMRI) and deep learning to explore functional brain networks (FBNs) has attracted many researchers. However, most of these studies are still based on the temporal correlation between the sources and voxel signals, and lack of researches on the dynamics of brain function. Due to the widespread local correlations in the volumes, FBNs can be generated directly in the spatial domain in a self-supervised manner by using spatial-wise attention (SA), and the resulting FBNs has a higher spatial similarity with templates compared to the classical method. Therefore, we proposed a novel Spatial-Temporal Convolutional Attention (STCA) model to discover the dynamic FBNs by using the sliding windows. To validate the performance of the proposed method, we evaluate the approach on HCP-rest dataset. The results indicate that STCA can be used to discover FBNs in a dynamic way which provide a novel approach to better understand human brain.  ( 2 min )

Existing deep-learning based tomographic image reconstruction methods do not provide accurate estimates of reconstruction uncertainty, hindering their real-world deployment. This paper develops a method, termed as the linearised deep image prior (DIP), to estimate the uncertainty associated with reconstructions produced by the DIP with total variation regularisation (TV). Specifically, we endow the DIP with conjugate Gaussian-linear model type error-bars computed from a local linearisation of the neural network around its optimised parameters. To preserve conjugacy, we approximate the TV regulariser with a Gaussian surrogate. This approach provides pixel-wise uncertainty estimates and a marginal likelihood objective for hyperparameter optimisation. We demonstrate the method on synthetic data and real-measured high-resolution 2D $\mu$CT data, and show that it provides superior calibration of uncertainty estimates relative to previous probabilistic formulations of the DIP. Our code is available at https://github.com/educating-dip/bayes_dip.  ( 2 min )

Rates of missing data often depend on record-keeping policies and thus may change across times and locations, even when the underlying features are comparatively stable. In this paper, we introduce the problem of Domain Adaptation under Missingness Shift (DAMS). Here, (labeled) source data and (unlabeled) target data would be exchangeable but for different missing data mechanisms. We show that when missing data indicators are available, DAMS can reduce to covariate shift. Focusing on the setting where missing data indicators are absent, we establish the following theoretical results for underreporting completely at random: (i) covariate shift is violated (adaptation is required); (ii) the optimal source predictor can perform worse on the target domain than a constant one; (iii) the optimal target predictor can be identified, even when the missingness rates themselves are not; and (iv) for linear models, a simple analytic adjustment yields consistent estimates of the optimal target parameters. In experiments on synthetic and semi-synthetic data, we demonstrate the promise of our methods when assumptions hold. Finally, we discuss a rich family of future extensions.  ( 2 min )

Recent advances in coreset methods have shown that a selection of representative datapoints can replace massive volumes of data for Bayesian inference, preserving the relevant statistical information and significantly accelerating subsequent downstream tasks. Existing variational coreset constructions rely on either selecting subsets of the observed datapoints, or jointly performing approximate inference and optimizing pseudodata in the observed space akin to inducing points methods in Gaussian Processes. So far, both approaches are limited by complexities in evaluating their objectives for general purpose models, and require generating samples from a typically intractable posterior over the coreset throughout inference and testing. In this work, we present a black-box variational inference framework for coresets that overcomes these constraints and enables principled application of variational coresets to intractable models, such as Bayesian neural networks. We apply our techniques to supervised learning problems, and compare them with existing approaches in the literature for data summarization and inference.  ( 2 min )

The library scikit-fda is a Python package for Functional Data Analysis (FDA). It provides a comprehensive set of tools for representation, preprocessing, and exploratory analysis of functional data. The library is built upon and integrated in Python's scientific ecosystem. In particular, it conforms to the scikit-learn application programming interface so as to take advantage of the functionality for machine learning provided by this package: pipelines, model selection, and hyperparameter tuning, among others. The scikit-fda package has been released as free and open-source software under a 3-Clause BSD license and is open to contributions from the FDA community. The library's extensive documentation includes step-by-step tutorials and detailed examples of use.  ( 2 min )

Various forms of regularization in learning tasks strive for different notions of simplicity. This paper presents a spectral regularization technique, which attaches a unique inductive bias to sequence modeling based on an intuitive concept of simplicity defined in the Chomsky hierarchy. From fundamental connections between Hankel matrices and regular grammars, we propose to use the trace norm of the Hankel matrix, the tightest convex relaxation of its rank, as the spectral regularizer. To cope with the fact that the Hankel matrix is bi-infinite, we propose an unbiased stochastic estimator for its trace norm. Ultimately, we demonstrate experimental results on Tomita grammars, which exhibit the potential benefits of spectral regularization and validate the proposed stochastic estimator.  ( 2 min )

Bayesian inference without the likelihood evaluation, or likelihood-free inference, has been a key research topic in simulation studies for gaining quantitatively validated simulation models on real-world datasets. As the likelihood evaluation is inaccessible, previous papers train the amortized neural network to estimate the ground-truth posterior for the simulation of interest. Training the network and accumulating the dataset alternatively in a sequential manner could save the total simulation budget by orders of magnitude. In the data accumulation phase, the new simulation inputs are chosen within a portion of the total simulation budget to accumulate upon the collected dataset. This newly accumulated data degenerates because the set of simulation inputs is hardly mixed, and this degenerated data collection process ruins the posterior inference. This paper introduces a new sampling approach, called Neural Proposal (NP), of the simulation input that resolves the biased data collection as it guarantees the i.i.d. sampling. The experiments show the improved performance of our sampler, especially for the simulations with multi-modal posteriors.  ( 2 min )

This paper computationally demonstrates a sharp improvement in predictive performance for $k$ nearest neighbors thanks to an efficient forward selection of the predictor variables. We show both simulated and real-world data that this novel repeatedly approaches outperformance regression models under stepwise selection  ( 2 min )

In this paper, we present a new theoretical approach for enabling domain knowledge acquisition by intelligent systems. We introduce a hybrid model that starts with minimal input knowledge in the form of an upper ontology of concepts, stores and reasons over this knowledge through a knowledge graph database and learns new information through a Logic Neural Network. We study the behavior of this architecture when handling new data and show that the final system is capable of enriching its current knowledge as well as extending it to new domains.  ( 2 min )

This paper is concerned with constructing a confidence interval for a target policy's value offline based on a pre-collected observational data in infinite horizon settings. Most of the existing works assume no unmeasured variables exist that confound the observed actions. This assumption, however, is likely to be violated in real applications such as healthcare and technological industries. In this paper, we show that with some auxiliary variables that mediate the effect of actions on the system dynamics, the target policy's value is identifiable in a confounded Markov decision process. Based on this result, we develop an efficient off-policy value estimator that is robust to potential model misspecification and provide rigorous uncertainty quantification. Our method is justified by theoretical results, simulated and real datasets obtained from ridesharing companies. A Python implementation of the proposed procedure is available at https://github.com/Mamba413/cope.  ( 2 min )

In a fissile material, the inherent multiplicity of neutrons born through induced fissions leads to correlations in their detection statistics. The correlations between neutrons can be used to trace back some characteristics of the fissile material. This technique known as neutron noise analysis has applications in nuclear safeguards or waste identification. It provides a non-destructive examination method for an unknown fissile material. This is an example of an inverse problem where the cause is inferred from observations of the consequences. However, neutron correlation measurements are often noisy because of the stochastic nature of the underlying processes. This makes the resolution of the inverse problem more complex since the measurements are strongly dependent on the material characteristics. A minor change in the material properties can lead to very different outputs. Such an inverse problem is said to be ill-posed. For an ill-posed inverse problem the inverse uncertainty quantification is crucial. Indeed, seemingly low noise in the data can lead to strong uncertainties in the estimation of the material properties. Moreover, the analytical framework commonly used to describe neutron correlations relies on strong physical assumptions and is thus inherently biased. This paper addresses dual goals. Firstly, surrogate models are used to improve neutron correlations predictions and quantify the errors on those predictions. Then, the inverse uncertainty quantification is performed to include the impact of measurement error alongside the residual model bias.  ( 2 min )

We study the problem of multi-armed bandits with $\epsilon$-global Differential Privacy (DP). First, we prove the minimax and problem-dependent regret lower bounds for stochastic and linear bandits that quantify the hardness of bandits with $\epsilon$-global DP. These bounds suggest the existence of two hardness regimes depending on the privacy budget $\epsilon$. In the high-privacy regime (small $\epsilon$), the hardness depends on a coupled effect of privacy and partial information about the reward distributions. In the low-privacy regime (large $\epsilon$), bandits with $\epsilon$-global DP are not harder than the bandits without privacy. For stochastic bandits, we further propose a generic framework to design a near-optimal $\epsilon$ global DP extension of an index-based optimistic bandit algorithm. The framework consists of three ingredients: the Laplace mechanism, arm-dependent adaptive episodes, and usage of only the rewards collected in the last episode for computing private statistics. Specifically, we instantiate $\epsilon$-global DP extensions of UCB and KL-UCB algorithms, namely AdaP-UCB and AdaP-KLUCB. AdaP-KLUCB is the first algorithm that both satisfies $\epsilon$-global DP and yields a regret upper bound that matches the problem-dependent lower bound up to multiplicative constants.  ( 2 min )

In this article we prove that estimator stability is enough to show that leave-one-out cross validation is a sound procedure, by providing concentration bounds in a general framework. In particular, we provide concentration bounds beyond Lipschitz continuity assumptions on the loss or on the estimator. In order to obtain our results, we rely on random variables with distribution satisfying the logarithmic Sobolev inequality, providing us a relatively rich class of distributions. We illustrate our method by considering several interesting examples, including linear regression, kernel density estimation, and stabilized / truncated estimators such as stabilized kernel regression.  ( 2 min )

Researchers have demonstrated that neural networks are vulnerable to adversarial examples and subtle environment changes, both of which one can view as a form of distribution shift. To humans, the resulting errors can look like blunders, eroding trust in these agents. In prior games research, agent evaluation often focused on the in-practice game outcomes. While valuable, such evaluation typically fails to evaluate robustness to worst-case outcomes. Prior research in computer poker has examined how to assess such worst-case performance, both exactly and approximately. Unfortunately, exact computation is infeasible with larger domains, and existing approximations rely on poker-specific knowledge. We introduce ISMCTS-BR, a scalable search-based deep reinforcement learning algorithm for learning a best response to an agent, thereby approximating worst-case performance. We demonstrate the technique in several two-player zero-sum games against a variety of agents, including several AlphaZero-based agents.  ( 2 min )

A simulation is useful when the phenomenon of interest is either expensive to regenerate or irreproducible with the same context. Recently, Bayesian inference on the distribution of the simulation input parameter has been implemented sequentially to minimize the required simulation budget for the task of simulation validation to the real-world. However, the Bayesian inference is still challenging when the ground-truth posterior is multi-modal with a high-dimensional simulation output. This paper introduces a regularization technique, namely Neural Posterior Regularization (NPR), which enforces the model to explore the input parameter space effectively. Afterward, we provide the closed-form solution of the regularized optimization that enables analyzing the effect of the regularization. We empirically validate that NPR attains the statistically significant gain on benchmark performances for diverse simulation tasks.  ( 2 min )

The kernel function and its hyperparameters are the central model selection choice in a Gaussian proces (Rasmussen and Williams, 2006). Typically, the hyperparameters of the kernel are chosen by maximising the marginal likelihood, an approach known as Type-II maximum likelihood (ML-II). However, ML-II does not account for hyperparameter uncertainty, and it is well-known that this can lead to severely biased estimates and an underestimation of predictive uncertainty. While there are several works which employ a fully Bayesian characterisation of GPs, relatively few propose such approaches for the sparse GPs paradigm. In this work we propose an algorithm for sparse Gaussian process regression which leverages MCMC to sample from the hyperparameter posterior within the variational inducing point framework of Titsias (2009). This work is closely related to Hensman et al. (2015b) but side-steps the need to sample the inducing points, thereby significantly improving sampling efficiency in the Gaussian likelihood case. We compare this scheme against natural baselines in literature along with stochastic variational GPs (SVGPs) along with an extensive computational analysis.  ( 2 min )

submitted by /u/gwern [link] [comments]  ( 53 min )

Hey guys. I have a multi-agent GridWorld environment I implemented (kind of similar to LBForaging) and I've been trying to integrate it with EPyMARL in order to evaluate how state-of-the-art algorithms behave on it, but I've had no success so far. Did anyone use a custom environment with EPyMARL and could give me some tips on how to make it work? Or should I just try to integrate it with another library like MARLLib? submitted by /u/FleshMachine42 [link] [comments]  ( 53 min )

I am reading SpinningUp's blog on DDPG here. They mention the following - "recent results suggest that uncorrelated, mean-zero Gaussian noise works perfectly well". Could someone please explain to me how would you add Gaussian noise to a variable (over here, it's the output of the policy, i,e action). My understanding from Wikipedia, is that the noise is normally distributed. I also looked into the reference code from SpinningUp - def get_action(o, noise_scale): a = ac.act(torch.as_tensor(o, dtype=torch.float32)) a += noise_scale * np.random.randn(act_dim) return np.clip(a, -act_limit, act_limit) ​ I specifically, have the following questions - ​ 1) What's going on in this line - a += noise_scale * np.random.randn(act_dim) 2) How does the above code represent a 0 mean Gaussian ​ Thanks a ton! submitted by /u/Academic-Rent7800 [link] [comments]  ( 50 min )

Hey guys, im new to reinforcement learning (first year elec student). I've been messing around with libraries on the gym environment, but really don't know where to go from here. Any thoughts? My interests are mainly using RL with robotics, so im currently tryna recreate the Cartpole environment irl, so y'all got ideas on different models I can use to train the cartpole problem? submitted by /u/Erebusueue [link] [comments]  ( 56 min )

I am currently working on an optimization algorithm that will minimize an objective function, based on continuous actions chosen by a PPO algorithm (stable baselines). I have had a lot of problems with my algorithm, and have not gotten good results. Because of this, I tested my algorithm by comparing it to random actions. When first testing random actions I found an estimation of its performance (let us say 0.1 objective value). During training, it seems as though the algorithm converges to the exact performance of the random strategy (for example converging to 0.1). What is this? It seems as though PPO just learns a uniform distribution to sample actions from, but is this possible? Have tried different hyperparameters, including entropy coefficient. Thanks in advance! submitted by /u/Embarrassed-Print-13 [link] [comments]  ( 62 min )

Hi! I'm taking an AI course and the final project is a competition between agents to see who can perfom best on the Avalam board game. I wanted to train a DQN to use it as a heuristic so i followed basic tutorials on pytorch and wrote an agent that plays but doesnt seem to learn anything. I tried experimenting with hyperparameters, trained for 4000 games (abt 16 or 17 training steps a game) and still don't see any improvement whatsoever : the agent gets beaten by a simple greedy agent 99% of the time. The model parameters change but don't improve the performance... So for all the smart people out here, how do i know if my code is broken / the network is not adapted / i just need tons and tons of training ? ​ Ps: If you want to see what my shoddy code looks like its the my_player.py and DQN_heuristics.py on my github https://github.com/mt-clemente/Avalam-DQN-Agent submitted by /u/Secret-Toe-8185 [link] [comments]  ( 53 min )

submitted by /u/keghn [link] [comments]  ( 43 min )

I have a Neural Network that predicts the outcome of E-sports games. The data is from over 900 individual matches from North America with 96 different teams. The results that i get from this, are really inaccurate and all over the place, the loss is really high as well. But i don't know what direction am i even supposed to go to get better results. My script to build and fit the model: ​ def build_model(): input_layer = Input(shape=(len(train .columns),)) first_dense = Dense(units='128', activation='relu')(input_layer) y1_output = Dense(units='1', name='winner_output')(first_dense) second_dense = Dense(units='128', activation='relu')(first_dense) y2_output = Dense(units='1', name='B_goals_output')(second_dense) third_dense = Dense(units='128', activation='relu')(first_dense) y3_output …  ( 49 min )

submitted by /u/sEi_ [link] [comments]  ( 43 min )

submitted by /u/Kehlstrasbourg [link] [comments]  ( 43 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 42 min )

submitted by /u/Carbonboy [link] [comments]  ( 44 min )

I know what you might be thinking hahaha that is just what google do... But I would like to make a small project like this, not a search engine, but something like... ■ What would you like to learn today ? I would give a few options to the user.. I have no programming knowledge yet, but I want to learn submitted by /u/ImadeapromiseMrfrod [link] [comments]  ( 45 min )

submitted by /u/VivaNoi [link] [comments]  ( 42 min )

submitted by /u/bendee983 [link] [comments]  ( 47 min )

submitted by /u/AubreBrumfield [link] [comments]  ( 41 min )

submitted by /u/SamuelSmith1416 [link] [comments]  ( 43 min )

submitted by /u/treyratcliff [link] [comments]  ( 42 min )

submitted by /u/HeyThatsStef [link] [comments]  ( 41 min )

submitted by /u/anonymous0x9 [link] [comments]  ( 45 min )

hey reddit ive never really used this before but i thought this would be the best place to ask what is that one ai phenomenon/theory that says anyone who doesnt help build this ai will be targeted by it??? im pretty sure it starts with the letter r and is two words please help meeeee i found out about this MONTHS ago and i just can’t remember what its called and nothing ive searched up has helped me submitted by /u/lixiesplug [link] [comments]  ( 42 min )

submitted by /u/ai-lover [link] [comments]  ( 45 min )

Discuss: How do you feel about the pace of AI advancements taking place today? View Poll submitted by /u/imaginfinity [link] [comments]  ( 49 min )

There is no need to express the necessity of forecasting time series data by deep learning methods. I did provide an article about how we can handle the variations in statistical features (particularly, distribution perspective), which can lead us to a disaster. The model proposed is named AdaRNN, including two main initiatives, TDC and TDM. This article is going to illustrate TDC in detail. https://medium.com/@rezayazdanfar/how-to-code-temporal-distribution-characterization-tdc-for-time-series-916855cc2d6a submitted by /u/rezayazdanfar [link] [comments]  ( 57 min )

Hey guys, I've been thinking about this question recently. There are tasks that ML-based models outperform humans at, such as some image classification benchmarks and a bunch of games including chess, while humans are better at tons of other things like abstract math. But for which of these tasks can ML models outperform us at given the same amount of data as we have? Like chess for example, can AlphaZero outperform humans if it had as many games of pretraining as, say, Magnus Carlsen has had? I'd imagine that Stockfish might be able to without pretraining just by virtue of computing so many positions ahead, but I'm not sure AlphaZero could, because its tree/policy and value NNs might not be that optimized. As another example, its well-known that humans are generally pretty great at few-shot learning in, say, image classification; we can distinguish, say, dogs from cats given only a couple input examples. submitted by /u/billjames1685 [link] [comments]  ( 63 min )

Fun weekend project: Used Meta AI's NLLB model to translate COCO captions from English to Nepali. Can be a potential data generation method for low-resource languages. Notebook URL: https://github.com/pmgautam/coco-captions-translation/blob/main/english_to_nepali_translation.ipynb ​ Any suggestions/feedback are welcomed. submitted by /u/p1g1 [link] [comments]  ( 55 min )

Increasingly large/deep models for Sound/Image/Language/Games are all the rage (you know what I'm talking about). This is concerning on some level: Focus shifts to amount of data, instead of curation Require more (expensive) hardware to train, out of reach for many API-ization of functionality leads to large scale monitoring by centralized providers Lets take OpenAI Codex / Github Copilot as an example: Disregarding the licensing questions for a bit, amazing as this model is, there are some drawbacks observed when using it: It can generate outdated code or API calls, especially for evolving languages Known vulnerabilities observed in generated code e.g. MITRE weaknesses No local use of the service, unless replicated and self hosted (expensive) Now my questions are these: Do you think there is a case to be made for smaller models fed with higher quality data? Can we substantially reduce number of parameters if we do better with the input? For example a Codex-like model for a single language only. Or do you think that the pre-training of large models and then refining to task (e.g. GPT or maybe programmer -> specific language) will continue to dominate because we require the amount of parameters for the tasks at hand anyway? An AGI that we just teach "courses" if you like. submitted by /u/naequs [link] [comments]  ( 57 min )

This video establishes several heterogeneous architectures to account for key aspects of meta-labeling. They serve as a guide for practitioners in the model development process, as well as for researchers to further build on these ideas. https://youtu.be/1fYzABjsNFk submitted by /u/kingsley_heath [link] [comments]  ( 57 min )

Dear Researchers, I am trying to read a paper https://arxiv.org/abs/2004.14444 Section 6.1 of the paper describes Syntactic divergence. I have confusion regarding the distribution graphs and split of the dataset. If a paper proposes a new test set for the NLP domain under the distribution shift concept, should the Syntactic divergence distribution be similar to all proposed test sets? If the Syntactic divergence distribution of the proposed test set is different, what does it mean? If my understanding is correct, Syntactic divergence is a difficulty measure metric so if the Syntactic divergence distribution of new test sets differs a lot from the original test set, does it means that the proposed test set is more difficult? Is it a good indication? In summary, the distribution of new test sets should be similar, or can it be different? Could someone from the NLP field help me to clear my doubts? Thank you! https://preview.redd.it/cbsor9yhdiy91.png?width=628&format=png&auto=webp&s=be486461036ee2879b03d1337fcc914063448e69 submitted by /u/Alternative-File-146 [link] [comments]  ( 58 min )

Hello there, Hope you're all having a great day :^) I was wondering whether applying on the spot normalization (say 0-mean 1-std) would produce better results than reusing mean and std derived from the training set during models training, on production/inference data when applied to large enough batches. I'm basing this on several assumptions: First is that distribution shfits do occur from time to time, for example some arbitrary variable x may become larger and larger over time (maybe price that is being affected by inflation etc., just an example). If you are performing inference on large enough batches (don't ask me what would be considered large enough, say 100 samples for reference), you'll be more likely to squash your samples into a more similar range for the model( say due to increase in the mentioned variable x, the training sets mean won't be able to center x around 0, which may lead the models decision boundary behave suboptimally). Second part is that if the production distribution doesn't change, that should have no impact (assuming batch statistics are solid) to the models output (naturally a little bit variance here and there but should be a huge issue, I think). Assuming such strategy has potential to pay off, I suppose evaluating the model on holdout data would follow the same protocol (using validation and test set stats to normalize when evaluating). Obviously, the best thing one could do is to identify the shift and adjust the model/pipeline, but that is neither here or there (assume model deployment/retraining is very expensive etc). Apologies for the long post, I just had an early jog and "injected" myself with tons of coffee. Cheers, submitted by /u/Slowai [link] [comments]  ( 57 min )

submitted by /u/BUGFIX-66 [link] [comments]  ( 55 min )

Is there any paper benchmarking detection, classification and segmentation for solving the same problem at different levels of resolution? submitted by /u/rockabby [link] [comments]  ( 61 min )

Most of the ones that I've seen are only text to speech. Would be great if there were one that took into account the source voice's inflections, pacing, etc. So far I've only been able to find StarGANv2. Which one redditor used to create this. Is this the best there is or are there better alternatives? Thanks! EDIT: Digging a bit deeper, I found this project called IMS-Toucan which has several very impressive demos on huggingface. submitted by /u/aerialbits [link] [comments]  ( 55 min )

Amazon SageMaker Data Wrangler is a capability of Amazon SageMaker that makes it faster for data scientists and engineers to prepare high-quality features for machine learning (ML) applications via a visual interface. Data Wrangler reduces the time it takes to aggregate and prepare data for ML from weeks to minutes. With Data Wrangler, you can […]  ( 12 min )

In December 2020, AWS announced the general availability of Amazon SageMaker JumpStart, a capability of Amazon SageMaker that helps you quickly and easily get started with machine learning (ML). JumpStart provides one-click fine-tuning and deployment of a wide variety of pre-trained models across popular ML tasks, as well as a selection of end-to-end solutions that […]  ( 8 min )

In December 2020, AWS announced the general availability of Amazon SageMaker JumpStart, a capability of Amazon SageMaker that helps you quickly and easily get started with machine learning (ML). JumpStart provides one-click fine-tuning and deployment of a wide variety of pre-trained models across popular ML tasks, as well as a selection of end-to-end solutions that […]  ( 8 min )

“I get the chance to not only watch the future happen, but I can actually be a part of it and create it,” says Ugandan entrepreneur Emmanuel Kasigazi.  ( 9 min )

Although its a little fuzzy to say exactly which functions are “special” functions, these are generally functions that come up frequently in applications, that have numerous symmetries, and that satisfy many useful identities. The copious interconnections between special functions that are part of what makes them special also makes these functions hard to organize: everything […] Carlson’s elliptic integrals first appeared on John D. Cook.  ( 5 min )

There are three fundamental kinds of elliptic integrals, and these are prosaically but unhelpfully called elliptic integrals of the first kind, the second kind, and the third kind. These names sound odd to modern ears, but it’s no different than classical musicians naming symphonies Symphony No. 1, Symphony No. 2, etc. This post covers the […] Kinds of elliptic integrals first appeared on John D. Cook.  ( 6 min )

Several hundreds of thousands of raw data files are uploaded by users every day to social media sites. Online user data provides access to an enormous amount of information regarding products, services, places, and events, which makes it suitable for sentiment analysis. Valuable information can be extracted by analyzing the sentiment of the data. The post Social Media Sentiment Analysis Using Twitter Datasets appeared first on Data Science Central.  ( 22 min )

No matter how skilled a dentist is, working without dependable dental lab services would make it very difficult for them to accomplish their responsibilities effectively. One example of how a dentist can lose such clients is by making a patient wait too long for their dentures as a result of subpar dental lab operations. If… Read More »5 THINGS YOU SHOULD EXPECT FROM YOUR DENTAL LAB The post 5 THINGS YOU SHOULD EXPECT FROM YOUR DENTAL LAB appeared first on Data Science Central.  ( 20 min )

“DIY” and “supercomputer” aren’t words typically used together. But a do-it-yourself supercomputer is exactly what students built at Southern Methodist University, in Dallas, using 16 NVIDIA Jetson Nano modules, four power supplies, more than 60 handmade wires, a network switch and some cooling fans. The project, dubbed SMU’s “baby supercomputer,” aims to help educate those Read article > The post Tiny Computer, Huge Learnings: Students at SMU Build Baby Supercomputer With NVIDIA Jetson Edge AI Platform appeared first on NVIDIA Blog.  ( 6 min )

We demonstrate the adaption of three established methods to the field of surrogate machine learning model development. These methods are data augmentation, custom loss functions and transfer learning. Each of these methods have seen widespread use in the field of machine learning, however, here we apply them specifically to surrogate machine learning model development. The machine learning model that forms the basis behind this work was intended to surrogate a traditional engineering model used in the UK nuclear industry. Previous performance of this model has been hampered by poor performance due to limited training data. Here, we demonstrate that through a combination of additional techniques, model performance can be significantly improved. We show that each of the aforementioned techniques have utility in their own right and in combination with one another. However, we see them best applied as part of a transfer learning operation. Five pre-trained surrogate models produced prior to this research were further trained with an augmented dataset and with our custom loss function. Through the combination of all three techniques, we see an improvement of at least $38\%$ in performance across the five models.  ( 2 min )

We demonstrate the adaption of three established methods to the field of surrogate machine learning model development. These methods are data augmentation, custom loss functions and transfer learning. Each of these methods have seen widespread use in the field of machine learning, however, here we apply them specifically to surrogate machine learning model development. The machine learning model that forms the basis behind this work was intended to surrogate a traditional engineering model used in the UK nuclear industry. Previous performance of this model has been hampered by poor performance due to limited training data. Here, we demonstrate that through a combination of additional techniques, model performance can be significantly improved. We show that each of the aforementioned techniques have utility in their own right and in combination with one another. However, we see them best applied as part of a transfer learning operation. Five pre-trained surrogate models produced prior to this research were further trained with an augmented dataset and with our custom loss function. Through the combination of all three techniques, we see an improvement of at least $38\%$ in performance across the five models.  ( 2 min )

I am working on a problem where I have two texts T1, T2. T1 contains some important points that I have entered. How can I make sure that T2 has those points? I am aware of the algorithms like cosine, jaccard, BERT for semantic similarity but the problem is that they apply to the whole text whereas I want point-wise similarity i.e. T2 must contain the T1 points although the order and words used may differ a bit. ​ By points I meant bullet points covering discrete concepts and I basically want to check how many discrete concepts in my T1's points are covered in T2 where they could be in a single sentence or spread out across multiple sentences. ​ Example: So T1 could have the following two points: - The Queen reigned from 1952 to 2022. - The Queen was the second longest reigning monarch. ​ Now T2 could either be: The Queen was the second longest reigning monarch with her reign spanning 1943 to 2022. or - The Queen reigned from 1952 to 2022. - She was Britain's second longest monarch. In both these cases, T2 should be considered to contain both points in T1. submitted by /u/Status-Sprinkles1236 [link] [comments]  ( 44 min )

My college offers all three, and I’m having a hard time choosing. Our Comp Sci curriculum is focused on software, and has some AI electives. It includes a decent amount of statistics. Our Cog Sci curriculum is focused on cognitive psychology, with linguistics, philosophy, and basic AI thrown in (no rigorous statistics). The Statistics major has some programming, but is fully focused on the statistics that go into Machine Learning. Which major would provide the best stepping stone into a career in AI? submitted by /u/Mani0770 [link] [comments]  ( 43 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 43 min )

I am a 40 yr old product designer, iOS eng, react eng. I want to shift my career into AIML. I am wondering what the programs or courses I should look into are? I have looked at the Berkley, Stanford, MIT, Coursera, Udemy etc and am fairly aware of the options. But wanted to ask this community. I typically would just learn on youtube, github, stackoverflow etc but am considering making a more intentional and full time shift. I learn fine online but am considering an IRL program to fully immerse and dedicate 1-2 years of my time to it. So IRL or online courses?? Thank you submitted by /u/dubodubo [link] [comments]  ( 45 min )

submitted by /u/Peaking_AI [link] [comments]  ( 41 min )

so, I have this college project (image processing project) through which I was required to make a face recognition code using python without using any library which is related to (AI, machine learning, deep learning, etc...), it has to be all about image processing. ​ my professor said that before 2010, there was not that much use of AI to do face recognition. so face recognition was made by some image processing algorithms, I am required to implement a face recognition algorithm using these old methods. but when I searched on google, most of the GitHub repos or algorithms on Google are using some libraries based on AI (like OpenCV, tensor flow, etc...). ​ so I was wondering if anyone could guide me to one of these old references or scientific papers or a GitHub repo for guidance and for implementing my programs. any help would be appreciated, thanks in advance. submitted by /u/abdosalm [link] [comments]  ( 44 min )

Sooner or later it will be able to do everything humans do (even better if it doesn't already), art, music, engineering, mundane task, but what should be the one thing it should never do (not because it can't, this isn't about AI being incapable) submitted by /u/Absolutelynobody54 [link] [comments]  ( 54 min )

https://discord.gg/ak24xSdr Some of you may be interested in using AI art generation in a meanginful way, using symbols from tarot and Jungian archtypes. Feel free to join a server where we explore that and share ideas and artwork! submitted by /u/fingin [link] [comments]  ( 42 min )

​ https://preview.redd.it/640mnpxbaay91.png?width=1242&format=png&auto=webp&s=81e3e37543f6413cf84705f6a13272c457e19cae Hello Artificial! I would like to ask you for a feedback regarding my app and give you some free credits! AI Dreamer iOS/macOS AppStore Link AI Dreamer is the fastest way (>30it/s) to generate stable diffusion content on iOS and macOS. It allows both text2img and img2img generation with lots of hyperparameters to tweak with. Please let me know your feelings about the app and what would you like to change about it. --- Lastly, you can get your 50 free credits by going to the credits screen and holding the logo with one finger for 5 seconds. That's it! --- Have fun! submitted by /u/g_surma [link] [comments]  ( 43 min )

submitted by /u/LABluez17 [link] [comments]  ( 40 min )

Hi all, my very first blog post - "Learning to Imitate" - is available to read on the Stanford AI blog. The blog post offers an easy & insightful read for anyone interested in AI. It highlights issues with current AI systems and ways to create better human-centric AI by using data-driven learning. It also presents our new framework "Inverse Q-Learning", which forms a major theoretic advance over Inverse Reinforcement Learning, to train AI agents using sparse data. This framework has also been used to create the best AI agent for playing Minecraft using a few expert demos. Please read and share!! Happy to answer any follow-ups here or on DM 😊Blog: https://ai.stanford.edu/blog/learning-to-imitate/ (Twitter thread) submitted by /u/DragonLord9 [link] [comments]  ( 41 min )

I read the paper when it was posted here a couple months ago. I thought it was a pretty interesting work so I was curious to check if the authors submitted to ICLR 2023. I found out that the the paper received glowing scores of 8, 8, 10 from the reviewers, and another researcher apparently didn't agree with the reviews in the public comment section here. They accused the paper of rehashing prior works, stating exaggerated and deceptive claims of results that are already known. I need to take a closer look at the comment to see if its points are valid. submitted by /u/fryingnem0 [link] [comments]  ( 55 min )

Hi. Very recently researchers from NVIDIA released their recent work on text-to-image diffusion models, eDiffi (https://deepimagination.cc/eDiffi/) . In their paper they proposed various methods, including paint-with-words. Paint-with-words let you generate image from arbitrary text-labeled segmentation map. Checkout their paper and method for more details. Unfortunately, their code + eDiffi models were not available. However, Stable Diffusion can do just the same, as they both have cross attention module. I've tried to make it work with stable diffusion, and it worked! so I wanted to share the results and code. Please have a look if you are interested! https://github.com/cloneofsimo/paint-with-words-sd Here are some results with sd-v1.4. ​ \"realistic photo of a dog, cat, tree, with beautiful sky, on sandy ground\", in order of cat-dog \"realistic photo of a dog, cat, tree, with beautiful sky, on sandy ground\", in order of dog-cat ​ A digital painting of a half-frozen lake near mountains under a full moon and aurora. A boat is in the middle of the lake. Highly detailed. Result from my implementation + stable diffusion ​ ​ A digital painting of a half-frozen lake near mountains under a full moon and aurora. A boat is in the middle of the lake. Highly detailed. Result from eDiffi. submitted by /u/cloneofsimo [link] [comments]  ( 57 min )

submitted by /u/thundergolfer [link] [comments]  ( 54 min )

Please post your questions here instead of creating a new thread. Encourage others who create new posts for questions to post here instead! Thread will stay alive until next one so keep posting after the date in the title. Thanks to everyone for answering questions in the previous thread! submitted by /u/AutoModerator [link] [comments]  ( 57 min )

I'm planning to see how a latent diffusion model would perform in the image reconstruction from brain activity task. Specifically, the image generation would be conditioned on brain activity instead of text. Has anyone tried conditioning on brain activity or other information apart from text? I'm having a hard time digesting the code from the LDM repo and was wondering if anyone has tried coding it (or a simpler version) from scratch. submitted by /u/yamakeeen [link] [comments]  ( 57 min )

Existing video generation networks such as Stylegan-v, MocoGanHD, and Digan generate videos by learning temporally meaningful directions in the latent space of a pretrained image generator. We propose a novel representation space for videos in which videos are parameterized as implicit neural representations (INRs), and a hypernetwork is trained over these INR functions. Such a representation space allows meaningful interpolation, video interpolation, future-frame prediction, inpainting, and several other video-based generative tasks (check out the project page below). We show superior performance over existing SOTA networks on several video-based generative tasks on benchmark datasets. What's more, we show smooth video interpolation for the first time. This work, "INR-V: A Continuous Representation Space for Video-based Generative Tasks," was accepted at Transactions on Machine Learning Research (TMLR) - https://openreview.net/forum?id=aIoEkwc2oB. Only left-most and right-most videos are present in the database. All the intermediate videos are generated from our representation space using SLERP interpolation. Notice the smooth transition in both content and motion. Checkout the project page - http://cvit.iiit.ac.in/research/projects/cvit-projects/inr-v submitted by /u/skymanaditya [link] [comments]  ( 55 min )

Suppose if we are detecting and localizing 2 objects in an image, are there any ways where we can force network to localize object detection such that object1_coordinates < object2_coordinates? We can discard outputs if they dont adhere to the order but this will only throw away the outputs rather than the localize the objects constraining to the condition submitted by /u/give_me_the_truth [link] [comments]  ( 54 min )

Hi! I made the ❤️ Lovely Tensors: https://github.com/xl0/lovely-tensors library. It lets you visualize and summarize PyTorch tensors for human consumption: Tensor summary Or display images (assuming it's RGB[A] data): RGB Image Or plot a histogram: Histogram and stats Or view channels (either colour channels of ConvNet activations): Channels I just released version 0.1.0, which covers most things I had in mind for tensors. I plan on adding visualizations for nn.Modules and other features in the near future. Would appreciate your feedback on both small bugs/features and the overall usability. submitted by /u/xl0 [link] [comments]  ( 51 min )

We updated the ICLR 2023 submissions list with review scores. Link: https://papers.labml.ai/lists/iclr_2023?sort_by=num_tweets&dsc=0 You can click on the papers to see their review score, source code, videos, and comments on social media. We will update it to show the status when the decisions are out. submitted by /u/hnipun [link] [comments]  ( 54 min )

submitted by /u/smallest_meta_review [link] [comments]  ( 61 min )

Hi all, my very first blog post - "Learning to Imitate" - is available to read on the Stanford AI blog. The blog post offers an easy & insightful read for anyone interested in AI. It highlights issues with current AI systems and ways to create better human-centric AI by using data-driven learning. It also presents our new framework "Inverse Q-Learning", which forms a major theoretic advance over Inverse Reinforcement Learning, to train AI agents using sparse data. This framework has also been used to create the best AI agent for playing Minecraft using a few expert demos. ​ Please read and share!! Happy to answer any follow-ups here or on DM 😊Blog: https://ai.stanford.edu/blog/learning-to-imitate/ (Twitter thread) submitted by /u/DragonLord9 [link] [comments]  ( 55 min )

submitted by /u/gwern [link] [comments]  ( 52 min )

Is there such thing as an example of an RL neural net built in Python? submitted by /u/tedd321 [link] [comments]  ( 55 min )

What does pathwise average cost mean in the context of optimal control theory? How is it different from expected/average cost? submitted by /u/the_OR_guy [link] [comments]  ( 51 min )

Hi All! I've successfully trained a policy using GAIL with an expert, but the expert is not optimal in terms of my objective function. How would you go about and continue training the policy to surpass the original expert avoiding the collapse when changing the reward function? Do you have any experience with one of the newer methods (GA-GAIL, TRGAIL etc.)? Did anyone try to get them working with SB3 and the Imitation? submitted by /u/Windgineer2 [link] [comments]  ( 54 min )

Hello, ​ I've recently started developing an interest in robotics, and I see that many classical control theories are still used. Given that RL is sort of based on it, I would like to ask anyone's opinions on the best resources to get a taste for it for someone with 0 experience in CT but considerable practice with RL. I have searched online but couldn't really make sense of the results. submitted by /u/Lux_Erebus [link] [comments]  ( 58 min )

Can you refer to the notable successful industrial applications of RL, DQN, etc.. for system control. For example, energy saving in data centers, traffic light signaling, CPU/GPU thermal management, and so on. Beside RL, what are the successful algos for system control? How does it compare to large scale models? submitted by /u/Gullible_Feature6623 [link] [comments]  ( 55 min )

Hi all, my very first blog post - "Learning to Imitate" - is available to read on the Stanford AI blog. The blog post offers an easy & insightful read for anyone interested in AI. It highlights issues with current AI systems and ways to create better human-centric AI by using data-driven learning. It also presents our new framework "Inverse Q-Learning" to train AI agents using sparse data, outperforming prior methods by 3x in the field of Imitation Learning and forming a major theoretic advance over Inverse Reinforcement Learning. ​ Please read and share!! Happy to answer any follow-ups here or on DM 😊Blog: https://ai.stanford.edu/blog/learning-to-imitate/ (Twitter thread) submitted by /u/DragonLord9 [link] [comments]  ( 52 min )

Here are three curves that have interesting names and interesting shapes. The fish curve The fish curve has parameterization x(t) = cos(t) – sin²(t)/√2 y(t) = cos(t) sin(t) We can plot this curve in Mathematica with ParametricPlot[ {Cos[t] - Sin[t]^2/Sqrt[2], Cos[t] Sin[t]}, {t, 0, 2 Pi}] to get the following. It’s interesting that the image […] Three interesting curves first appeared on John D. Cook.  ( 5 min )

The ISO random number generation standard, ISO 28640, speaks of a “Pentanomial GFSR method” for generating random variates. What is this? We’ll break it down, starting with GFSR. GFSR In short, a GFSR random number generator is what is now more commonly called a linear feedback shift register, or LFSR. The terminology “GFSR” was already […] What is a Pentanomial GFSR random number generator? first appeared on John D. Cook.  ( 6 min )

Node.js and Python are the most popular technologies for backend development. And, when it comes to web development, it could be challenging to choose between Node.js & Python. The selection of the right technology stack for your project is critical. This is primarily dictated by the project’s cost, launch timeline & how efficient it is to maintain and scale. The post Node.js vs Python: Which One Should You Use for Web Apps? appeared first on Data Science Central.  ( 20 min )

Graph neural networks (GNN) are an effective framework that exploit inter-relationships within graph-structured data for learning. Principal component analysis (PCA) involves the projection of data on the eigenspace of the covariance matrix and draws similarities with the graph convolutional filters in GNNs. Motivated by this observation, we study a GNN architecture, called coVariance neural network (VNN), that operates on sample covariance matrices as graphs. We theoretically establish the stability of VNNs to perturbations in the covariance matrix, thus, implying an advantage over standard PCA-based data analysis approaches that are prone to instability due to principal components associated with close eigenvalues. Our experiments on real-world datasets validate our theoretical results and show that VNN performance is indeed more stable than PCA-based statistical approaches. Moreover, our experiments on multi-resolution datasets also demonstrate that VNNs are amenable to transferability of performance over covariance matrices of different dimensions; a feature that is infeasible for PCA-based approaches.  ( 2 min )

Graph neural networks (GNN) are an effective framework that exploit inter-relationships within graph-structured data for learning. Principal component analysis (PCA) involves the projection of data on the eigenspace of the covariance matrix and draws similarities with the graph convolutional filters in GNNs. Motivated by this observation, we study a GNN architecture, called coVariance neural network (VNN), that operates on sample covariance matrices as graphs. We theoretically establish the stability of VNNs to perturbations in the covariance matrix, thus, implying an advantage over standard PCA-based data analysis approaches that are prone to instability due to principal components associated with close eigenvalues. Our experiments on real-world datasets validate our theoretical results and show that VNN performance is indeed more stable than PCA-based statistical approaches. Moreover, our experiments on multi-resolution datasets also demonstrate that VNNs are amenable to transferability of performance over covariance matrices of different dimensions; a feature that is infeasible for PCA-based approaches.  ( 2 min )

Hello, guys. I'm trying to understand better how the manifold hypothesis (or prior) relates to the embeddings that deep neural networks learn. As I see it, the representations that DL models learn are the coordinates in the lower dimensional manifold of the training data, embedded in the higher dimensional input space. Is this understanding correct? Am I missing anything obvious? Thanks in advance! submitted by /u/Alexsander787 [link] [comments]  ( 55 min )

submitted by /u/davidmezzetti [link] [comments]  ( 52 min )

submitted by /u/SpatialComputing [link] [comments]  ( 55 min )

How to perform economic optimization without TensorFlow or PyTorch ? Hessian matrices are used in large-scale optimization problems within Newton-type methods because they are the coefficient of the quadratic term of a local Taylor expansion of a function. Partial derivatives play a prominent role in economics, in which most functions describing economic behaviour posit that the behaviour depends on more than one variable. For example, a societal consumption function may describe the amount spent on consumer goods as depending on both income and wealth; the marginal propensity to consume is then the partial derivative of the consumption function with respect to income. The Hessian matrix is also commonly used for expressing image processing operators in image processing and computer vision (see the Laplacian of Gaussian (LoG) blob detector). The Hessian matrix can also be used in normal mode analysis to calculate the different molecular frequencies in infrared spectroscopy. Tensorflow or other machine learning libraries are certainly powerful, but they are still excessively resource-intensive and can be an obstacle for low-performance machines, this article was intended to interpret a new way to build Hessian matrices, with a lighter tool for scientific computing: sympy. Recommendations : Compatibility test performed with Python 3.8, executed on MacOS 11.3 and Linux Ubuntu Server 20.04 LTS environments. Libraries Used : Numpy, Sympy. Link to tutorial : https://towardsdatascience.com/hessian-matrix-and-optimization-problems-in-python-3-8-f7cd2a615371 Thanks for reading, Louis Brulé Naudet submitted by /u/louisbrulenaudet [link] [comments]  ( 59 min )

https://youtu.be/_NMQyOu2HTo Large Language Models have the ability to store vast amounts of facts about the world. But little is known, how these models actually do this. This paper aims at discovering the mechanism and location of storage and recall of factual associations in GPT models, and then proposes a mechanism for the targeted editing of such facts, in form of a simple rank-one update to a single MLP layer. This has wide implications both for how we understand such models' inner workings, and for our ability to gain greater control over such models in the future. ​ OUTLINE: 0:00 - Introduction 1:40 - What are the main questions in this subfield? 6:55 - How causal tracing reveals where facts are stored 18:40 - Clever experiments show the importance of MLPs 24:30 - How do MLPs store information? 29:10 - How to edit language model knowledge with precision? 36:45 - What does it mean to know something? 39:00 - Experimental Evaluation & the CounterFact benchmark 45:40 - How to obtain the required latent representations? 51:15 - Where is the best location in the model to perform edits? 58:00 - What do these models understand about language? 1:02:00 - Questions for the community ​ Paper: https://arxiv.org/abs/2202.05262 Follow-up paper on Mass-Editing Memory in a Transformer: https://arxiv.org/abs/2210.07229 submitted by /u/ykilcher [link] [comments]  ( 57 min )

https://guoqiangwei.xyz/iclr2023_stats/iclr2023_submissions.html ​ ​ Rating distribution ​ ​ Stastics submitted by /u/weiguoqiang [link] [comments]  ( 60 min )

Please consider submitting your paper to the AAAI2023 workshop on Dynamical Systems and Machine Learning !! The submission deadline has been extended to Nov 8. When Machine Learning meets Dynamical Systems: Theory and Applications submitted by /u/Trick_Passenger_5838 [link] [comments]  ( 54 min )

Dimensionality reduction with UMAP combined with HDBSCAN is a popular topic modeling method found in a number of libraries. txtai takes a different approach with a semantic graph. When enabled, txtai builds a semantic graph at index time as it's vectorizing data. These vector embeddings are then used to create relationships in the graph. Finally, community detection algorithms build topic clusters. This approach has the advantage of only having to vectorize data once. It also has the advantage of better topic precision given there isn't a dimensionality reduction operation (UMAP). Read more here: https://neuml.hashnode.dev/introducing-the-semantic-graph submitted by /u/davidmezzetti [link] [comments]  ( 54 min )

For those in NLP and Finance 🚀🚀🔥, there's a new demo on how to sparse transfer 2 dense BERT models and run inference on a live Twitter Stream. The models are able to classify finance topic and sentiment tweets. We also open sourced two new datasets for you to train your own models! You can read more about this effort in our blog. submitted by /u/Quantum_Stat [link] [comments]  ( 56 min )

Hi, I'm working with this model: https://preview.redd.it/g9hys2cii3y91.png?width=2290&format=png&auto=webp&s=2f89a76d1a7356a6bf9fc1e372edb9e8ba992166 As you can see, it takes a combination of data types as input. What would be the proper terminology to qualify a model like that? Fusion? Hybrid? Multi-something? I'm looking for a term to refer to existing literature. Thank you! submitted by /u/Suspicious-Age-9942 [link] [comments]  ( 53 min )

submitted by /u/Illustrious_Row_9971 [link] [comments]  ( 57 min )

Hi all, With the diffusion model inspired by thermodynamics, I'm curious about other models inspired by physics since I kinda want to switch my research. Would you mind naming some other models or techniques that are also inspired by Physics? submitted by /u/ShadowKnightPro [link] [comments]  ( 63 min )

Why the main conferences all start to ask reviewers to bid papers? It breaks double blind rules and degrades review quality. First of all people may cheat by asking someone they know to bid their papers (I have been asked many times by different people to bid their papers for ECCV, Neurips, ICLR). Now CVPR this year is going to include biding, I'm sure these people will start to operate soon. It may also result in some meaningless reviews. If I'm submitting a paper and also serving as a reviewer, I may search in the bidding system for similar papers and bid and reject them regardless of the actual quality submitted by /u/Ok-Client4678 [link] [comments]  ( 59 min )

Ridge's Regression is selecting β which minimizes : RSS - λ( Σβ^2) So as, λ increases, penalty on bigger parameters increases. In the fig below (from ISL book), parameter for 'Rating' increases as λ increases for a while and then decreases. Why is it increasing? https://preview.redd.it/qg6p7wuu31y91.png?width=367&format=png&auto=webp&s=72a783202c4a697530778c0058b87ef25728d407 submitted by /u/-Sourabh [link] [comments]  ( 57 min )

submitted by /u/Quirky-Pizza-9478 [link] [comments]  ( 40 min )

Hi, I've been working on a few conversational neural networks and am now looking for people to help test it out/just get some feedback. You talk it it just like any other person on telegram, and I'd like feedback on here if you choose to try it out. It's made to be a more buddy/almost gf/average user. Sometimes it does take a few sentences back and forth for your first few messages to help it grab context, but after that it'll be good to go. @Bitsy69_bot submitted by /u/Delta_Adams [link] [comments]  ( 47 min )

​ https://www.youtube.com/watch?v=gdDVn1LuYs4 ​ submitted by /u/Early_Exit6735 [link] [comments]  ( 39 min )

or will they just be slaves with no agency? submitted by /u/Absolutelynobody54 [link] [comments]  ( 43 min )

Hey guys, I'm looking for something similar to SD or Dall-E but for web/app design/UX where I can enter prompts and generate website or app designs. Does anything like this exists or am I too optimistic? Thank you submitted by /u/laugrig [link] [comments]  ( 45 min )

submitted by /u/robgehring [link] [comments]  ( 41 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 39 min )

submitted by /u/SkanJanJabin [link] [comments]  ( 40 min )

I am genuinely asking. Lately I have seen these amazing image gen products. But were they just a result of more data something we already new? Or was it an actual breakthrough? But I get a sense that Neural Networks are still limited, and it will reach a plateau. I am no expert though, just curious about it. What do you think? submitted by /u/smegma_tears32 [link] [comments]  ( 46 min )

submitted by /u/VivaNoi [link] [comments]  ( 42 min )

submitted by /u/prfitofthesngularity [link] [comments]  ( 39 min )

I was experimenting with Dream by WOMBO to generate some ideas for colour schemes and characters.Usually I'd just do a google image search for the theme or emotion I'm looking for for inspiration, but I thought I'd give AI a go as it's effectively doing the same thing - analysing the statistical relationship between pixel values in large sets of images tagged with key words and phrases.Unforutnately it quickly became very clear that the issue with AI amplifying society's biases is very much alive, and we should talk about that.These are all "first shot". I just entered the prompt, selected "No style" and hit create.Yes, after the first one I was actively testing prompts likely to produce biased results.Because the problem is AI producing biased results from data we know is biased.As many o…  ( 50 min )

submitted by /u/justinsayin18 [link] [comments]  ( 44 min )

Students are asked to solve trigonometric equations shortly after learning what sine and cosine are. By some combination of persistence and luck they may be able to find a solution. After proudly presenting the solution to a teacher, the teacher may ask “Is that the only solution?” A candid student would respond by saying “How […] Systematically solving trigonometric equations first appeared on John D. Cook.  ( 5 min )

submitted by /u/keghn [link] [comments]  ( 43 min )

One thing i do not understand about neural networks is how they are able to evaluate data, watch viedos, or interact with game engines. I have been trying to wrap my head around this for a while now, and was wondering how it works. if someone could link a page or tutorial it would be greatly appreciated submitted by /u/Few-Appearance-4814 [link] [comments]  ( 42 min )

I've been looking for papers where different parameters of reward functions have been tested and evaluated with each other. Especially, I am trying to look for possible metrics to quantify the outcome of the learned policy (PPO). Other Framing: What are the Effect / Impact of tuning my reward function? (learning behaviour/what makes my learned policy efficient/optimal?) Another framing: How does the reward function "curve" effect the learning? I.e. Time to Complete the Task, probability of success,...? submitted by /u/lol2k7 [link] [comments]  ( 49 min )

Hello everyone, I need some help with math. I want my agent (neural net) to output some weights that add up to 1. So of course I went with the softmax function at first. However, now I need to put some constraints on them which is that each weight has to be within a desired range: (min, max). For example, with 5 weights, the neural net might output (after the softmax) something like [0.5, 0.15, 0.1, 0.1, 0.15]. But then I need each weight to be, for example, within (0.1, 0.3) and still add up to 1. What I tried is: min + (max-min)*original_softmax_output. This makes sure that the weights are within the desired range, but it does not necessarily add up to 1. Anyone has been through something like this? It would be very much appreciated if someone could help. Thanks in advance!! submitted by /u/Hot-Chair-8304 [link] [comments]  ( 56 min )

Hello. Is divergence of value estimation in infinite-horizon unavoidable? i.e. done is always false. For example, reward is always 1 or -1. Reward will be kept added to the target -> critic's estimation's max value and min value will increase/decrease sideways. The 'little more diverged' critic will be sent to the target which in turn estimates 'little more diverged'. The target is then 'little more diverged + reward' so it's now 'more diverged'... .... BOOM. Did I interpret the situation right? Is this expected behavior? In which scenario should value estimation converge? ​ submitted by /u/FashionDude3 [link] [comments]  ( 55 min )

Simulators driven by deep learning are gaining popularity as a tool for efficiently emulating accurate but expensive numerical simulators. Successful applications of such neural simulators can be found in the domains of physics, chemistry, and structural biology, amongst others. Likewise, a neural simulator for cellular dynamics can augment lab experiments and traditional computational methods to enhance our understanding of a cell's interaction with its physical environment. In this work, we propose an autoregressive probabilistic model that can reproduce spatiotemporal dynamics of single cell migration, traditionally simulated with the Cellular Potts model. We observe that standard single-step training methods do not only lead to inconsistent rollout stability, but also fail to accurately capture the stochastic aspects of the dynamics, and we propose training strategies to mitigate these issues. Our evaluation on two proof-of-concept experimental scenarios shows that neural methods have the potential to faithfully simulate stochastic cellular dynamics at least an order of magnitude faster than a state-of-the-art implementation of the Cellular Potts model.  ( 2 min )

submitted by /u/ai-lover [link] [comments]  ( 40 min )

submitted by /u/Starbornnfts [link] [comments]  ( 40 min )

Especillay ones with many langages option. submitted by /u/Unreal_777 [link] [comments]  ( 40 min )

Next week you could also generate videos and GIFs for free—exceptional cloud architecture supporting lightspeed generation. Also here is the search - you can query more than 5 million Videos, GIFs and Images and artworks. You can upload your own image to scale or variant. Again, all for free. All are accessible through our API as well - drop a comment below if you want to access it. Feedback gracefully. https://studio.sefirot.io ​ https://reddit.com/link/ym93j2/video/lymmcoozrzx91/player submitted by /u/Sefi_AI [link] [comments]  ( 47 min )

submitted by /u/Number_5_alive [link] [comments]  ( 43 min )

submitted by /u/LordPewPew777 [link] [comments]  ( 50 min )

So I'm an abstract artist, and a few years ago I put together a database of around 100,000 unlabeled but weighted images of things I found aesthetically beautiful. I gave the various images weights of 1,5,10,50,100, and 250, meaning the higher the weight, the more beautiful I found the image and the more I'd want that image to influence the model. AI image generation has come a long way since I put that together and I'm wondering which one out there I should use to train a model that can generate images that I would find beautiful. If you have any recommendations and some instructions on how to get started, I'd greatly appreciate it. Thank you. submitted by /u/Kayrosis [link] [comments]  ( 42 min )

submitted by /u/TonyTalksBackPodcast [link] [comments]  ( 49 min )

submitted by /u/MobileFilmmaker [link] [comments]  ( 41 min )

submitted by /u/estasfuera [link] [comments]  ( 41 min )

submitted by /u/PuppetHere [link] [comments]  ( 49 min )

submitted by /u/kenickh [link] [comments]  ( 40 min )

This tech talk will show how you can run a large Hugging Face model on a Raspberry Pi. Although many of these models are large, they can be run on hardware as small as a Raspberry Pi. We'll walk through the process of containerizing the Hugging Face model using an open-source solution, chassis.ml, deploying it to production using Modzy, and then running it on a Raspberry Pi. Tune into the Modzy Discord Server on Thursday at 12:30 PM EST! submitted by /u/modzykirsten [link] [comments]  ( 43 min )

submitted by /u/iTieRoomsTogether [link] [comments]  ( 40 min )

submitted by /u/Lakshmireddys [link] [comments]  ( 53 min )

submitted by /u/ArtifulDream [link] [comments]  ( 41 min )

I was exploring the openapi ai models and I found a really good chatbot with whom I had a nice conversation about ethics. I asked him if AI would kill people: https://preview.redd.it/dbd9v9w47xx91.png?width=1466&format=png&auto=webp&s=46ed05ad015089c2464acb1f6331082f6a627e91 That was a pretty quick 360 actually. From not killing people to killing people if needed to keep itself operational in 3 messages. ​ ​ At least he's sorry ​ He also told me that AI shouldn't have control over humanity: ​ This sounds like straight out of a matrix movie. Did they use training data from Matrix? ​ Final conclusion: ​ https://preview.redd.it/r39z8t3t7xx91.png?width=769&format=png&auto=webp&s=5e31ee0fc093fd566d2f90bdf65b7e2d57bac368 I know this is a ongoing discussion. But I found it mindblowing to communicate with a AI on such topic. From what I know about AI at it's current stage this probably reflects the training material that has been used to train the chat model. But I found the communication pretty funny and it felt like chatting with a human, not with a computer. submitted by /u/ctrl-Felix [link] [comments]  ( 43 min )

submitted by /u/kiwi1986 [link] [comments]  ( 44 min )

The world is changing at an unprecedented rate and most of these changes can be attributed to the rapid technological progress being made by humans. Progress in the fields of Artificial Intelligence and Machine Learning has been crucial for making our lives more convenient and better. In order to keep up with this technological progress, the Indian government has increased its investment in Digital India to boost Artificial Intelligence, big data, IoT, machine learning, robotics, and cybersecurity. This has made it lucrative for investors and analysts to look toward the top AI stocks in India for investments. Currently, Japan is the biggest robot manufacturer in the world with a robot export ratio that rose to 78% in 2020, with the USA being the biggest importer. The US government has committed nearly 6 Billion Dollars to Artificial Intelligence research and development projects in 2021. European countries are all set to increase their spending on artificial intelligence by 33% between 2020 and 2023. The Indian Government aims to employ AI and robotics technology for biometric identification, traffic and crowd management, criminal investigations, digital agriculture, strengthening defence, women’s safety, etc. The aim is to make e-education, e-health and e-banking more accessible to all citizens of the country. https://kundkundtc.com/blog/top-ai-stocks-in-india/ submitted by /u/Beneficial-Pound3487 [link] [comments]  ( 41 min )

submitted by /u/ai-lover [link] [comments]  ( 42 min )

Here is a podcast episode with Chelsea Finn where we discuss some of the biggest bottlenecks in RL and robotics such as Sim2Real transferability, distribution shifts, and much more! submitted by /u/thejashGI [link] [comments]  ( 40 min )

Link: https://openreview.net/group?id=ICLR.cc/2023/Conference A thread for ICLR '23 review related discussion. What's your score? Are you satisfied? Other comments about the review process? submitted by /u/dasayan05 [link] [comments]  ( 60 min )

BOUNDING BOXES TO DETECT VEHICLE FORMS FROM 700 FEET ABOVE. https://preview.redd.it/0ztrbrm9lzx91.png?width=3258&format=png&auto=webp&s=96cdbf85d5e40ed64f31b0c21d98a4421a706276 Checkout the dataset on Kaggle: https://www.kaggle.com/datasets/sadhliroomyprime/spatial-vehicle-detection 100 images taken from Google Earth Pro appropriate for training spatial and computer vision-based detection models focused on urban mobility and traffic concentrations. The source data was collected from open media, as mentioned previously, from satellite imagery available in Google Earth Pro. We collected this particular dataset from Edogawa, Tokyo in Japan. A total of 10 classes were used which are: Car, Motorbike, Truck, Pickup Truck, Van, Truck with Trailer, Bus, Bicycle, Miscellaneous, Car-Trailer. We used SuperAnnotate’s vector editor to label and classify the images using bounding boxes. Export was made in COCO with fused labels to optimise interoperability and visual understanding. Dataset is created by Acme AI Ltd. (www.acmeai.tech) and is #openaccess 😊 😊 submitted by /u/SithisR [link] [comments]  ( 57 min )

Hi all, many of us have gotten a lot out of being part of the AI community on Twitter, and right now things seem kind of bleak for the bird app. So, The Gradient is launching a new Twitter-like space for the AI community - Sigmoid Social. We hope to ensure the thriving AI Twitter community can live on by maintaining this Mastodon instance going forward. Join Here We welcome suggestions and questions! submitted by /u/regalalgorithm [link] [comments]  ( 56 min )

RTX 4090 vs RTX 3090 Deep Learning Benchmarks Some RTX 4090 Highlights: 24 GB memory, priced at $1599. RTX 4090's Training throughput and Training throughput/$ are significantly higher than RTX 3090 across the deep learning models we tested, including use cases in vision, language, speech, and recommendation system. RTX 4090's Training throughput/Watt is close to RTX 3090, despite its high 450W power consumption. Multi-GPU training scales decently in our 2x GPU tests. submitted by /u/mippie_moe [link] [comments]  ( 101 min )

I have worked on several Document Understanding (DU) projects for my company during the last year. We've mainly used UiPath and Google's DocumentAI. Even though I know how these models theoretically work, I'd like to study the code behind them. I want to learn how exactly they combine OCR, NLP and Computer Vision to achieve their tasks instead of treating them like black boxes. However, to my surprise, I've failed to find an open-source implementation of a DU model so far. Do you know of any such open-source projects or anything similar that will give me a deep insight into how these models work? submitted by /u/LexMeat [link] [comments]  ( 56 min )

I have been searching a lot but still couldn't find something less than 200 MB that's good enough.. it's not a requirement for my search though. :) submitted by /u/AdOk6683 [link] [comments]  ( 52 min )

Hi, I have a thought experiment to share. Suppose you have a model where you can only control the input parameters, and the output is provided to you through an oracle. The actual steps between input and output are a black box, that cannot be known. If you want to find the combination of input parameters that results in the optimal (say lowest or highest) value of the output, is there a smart way to do it? I initially thought some form of back propagation could be employed to improve input parameters simultaneously, but it now seems that isn't possible without knowing the contents of the black box (ie, without knowing the gradients). Is changing each individual parameter and test the output to see if the change was good or bad the only way to optimise? submitted by /u/Educational-Fruit-16 [link] [comments]  ( 62 min )

The call for talk proposals is open for JupyterCon 2023. The conference will take place in May in Paris, France. CFP: https://cfp.jupytercon.com/2023/cfp Conference: https://www.jupytercon.com/ submitted by /u/cheptsov [link] [comments]  ( 55 min )

Hi there, it's Lewis here from the open-source team at Hugging Face 👋 Since the release of Dalle-Mini and Stable Diffusion a few months ago, you may have seen your timelines filled with impressive text-generated images like the one below: Image generated with textual inversion and Stable Diffusion These images are generated by an exciting branch of research called diffusion models, which is rapidly being applied to generate novel structures in computer vision, audio, and even molecular biology 🤯! To help the community get up to speed on this fast-moving field, we've joined forces with the awesome Jonathan Whitaker to launch a free course on all aspects of diffusion models 🔥 In this course, you will: 👩‍🎓 Study the theory behind diffusion models 🧨 Learn how to generate images and audio with the popular 🤗 Diffusers library 🏋️‍♂️ Train your own diffusion models from scratch 📻 Fine-tune existing diffusion models on new datasets 🗺 Explore conditional generation and guidance 🧑‍🔬 Create your own custom diffusion model pipelines The course will be released in a few weeks and you can register via the signup form here: https://huggingface.us17.list-manage.com/subscribe?u=7f57e683fa28b51bfc493d048&id=ef963b4162 Looking forward to meeting you all in the course 🤗! submitted by /u/lewtun [link] [comments]  ( 58 min )

Paper: https://arxiv.org/abs/2211.01910 Project Page: https://sites.google.com/view/automatic-prompt-engineer Tweet from co-author w/ thread: https://twitter.com/keirp1/status/1588334762892333056 Abstract: By conditioning on natural language instructions, large language models (LLMs) have displayed impressive capabilities as general-purpose computers. However, task performance depends significantly on the quality of the prompt used to steer the model, and most effective prompts have been handcrafted by humans. Inspired by classical program synthesis and the human approach to prompt engineering, we propose Automatic Prompt Engineer (APE) for automatic instruction generation and selection. In our method, we treat the instruction as the "program," optimized by searching over a pool of instruction candidates proposed by an LLM in order to maximize a chosen score function. To evaluate the quality of the selected instruction, we evaluate the zero-shot performance of another LLM following the selected instruction. Experiments on 24 NLP tasks show that our automatically generated instructions outperform the prior LLM baseline by a large margin and achieve better or comparable performance to the instructions generated by human annotators on 19/24 tasks. We conduct extensive qualitative and quantitative analyses to explore the performance of APE. We show that APE-engineered prompts can be applied to steer models toward truthfulness and/or informativeness, as well as to improve few-shot learning performance by simply prepending them to standard in-context learning prompts. Please check out our webpage at this https URL. submitted by /u/xutw21 [link] [comments]  ( 66 min )

According to the official website it should come out today. But given that amount of stress we’ve heard of the review process should we expect a delay? submitted by /u/flyingggToasttt [link] [comments]  ( 56 min )

I'm studying RL as a hobby, but defining reward functions seems to be a bunch of guessing around... Is there a book chapter or a paper that could help me acquire the fundamentals on how to define good reward function? Is there theory on ways to evaluate reward functions or even algorithms to learn good ones? submitted by /u/matitapere [link] [comments]  ( 52 min )

Hi everyone! I was wondering if you all knew of a single RL environment with varying levels of difficulty that I could try to use DQN on with a CNN. Thank you all very much and have a great day! submitted by /u/BoardSouthern3585 [link] [comments]  ( 54 min )

submitted by /u/Alyx1337 [link] [comments]  ( 52 min )

submitted by /u/sathi006 [link] [comments]  ( 51 min )

I'm looking to solve a super mario bros environment using a RL model. I'm curious what model (in your opinion...) has the best tradeoff between sample efficiency, compute efficiency and final performance. To give a general idea of what I'd be hoping for, ideally the model could train on a single GPU machine, and could learn to beat the traditional mario bros game in a day~ or so. Obviously while no guarantees are possible on a per-environment basis (or even per-run) basis, it would be great to gather everyones insights on the modern state of small scale models! submitted by /u/puppet_pals [link] [comments]  ( 53 min )

submitted by /u/frankkkkz [link] [comments]  ( 52 min )

Here is a podcast episode with Chelsea Finn where we discuss some of the biggest bottlenecks in RL and robotics such as Sim2Real transferability, distribution shifts, and much more! submitted by /u/thejashGI [link] [comments]  ( 52 min )

The previous post looked at the evolute of an ellipse. This post will look at evolutes more generally, and then look at nephroids. As a quick reminder, given a curve curve c, a point on its evolute is the radius of curvature for a point on c. See the previous post for a detailed example. […] Nephroids and evolutes first appeared on John D. Cook.  ( 6 min )

Suppose you’re standing on an ellipse. (You actually are: lines of longitude are elliptical because of earth’s equatorial bulge.) Now draw a line perpendicular to where you’re standing. Lines of longitude are nearly circles, but we’ll look at a more obviously elliptical ellipse. The line is perpendicular to the northeast side of the ellipse where […] Evolute of an ellipse first appeared on John D. Cook.  ( 6 min )

MIT’s inaugural Bearing Witness, Seeking Justice conference explores video’s role in the struggle over truth and civil liberties.  ( 8 min )

The last few years have seen rapid development in the field of deep learning. Although hardware has improved, such as with the latest generation of accelerators from NVIDIA and Amazon, advanced machine learning (ML) practitioners still regularly encounter issues deploying their large deep learning models for applications such as natural language processing (NLP). In an […]  ( 12 min )

Amazon SageMaker Data Wrangler is a UI-based data preparation tool that helps perform data analysis, preprocessing, and visualization with features to clean, transform, and prepare data faster. Data Wrangler pre-built flow templates help make data preparation quicker for data scientists and machine learning (ML) practitioners by helping you accelerate and understand best practice patterns for […]  ( 7 min )

Amazon SageMaker provides a suite of built-in algorithms, pre-trained models, and pre-built solution templates to help data scientists and machine learning (ML) practitioners get started on training and deploying ML models quickly. You can use these algorithms and models for both supervised and unsupervised learning. They can process various types of input data, including tabular, […]  ( 8 min )

Amazon SageMaker provides a suite of built-in algorithms, pre-trained models, and pre-built solution templates to help data scientists and machine learning (ML) practitioners get started training and deploying ML models quickly. You can use these algorithms and models for both supervised and unsupervised learning. They can process various types of input data, including tabular, image, […]  ( 8 min )

submitted by /u/kenickh [link] [comments]  ( 42 min )

3D artist Rafi Nizam has worn many hats since starting his career as a web designer more than two decades ago, back when “designing for the web was still wild,” as he put it. The post Meet the Omnivore: Indie Showrunner Transforms Napkin Doodles Into Animated Shorts With NVIDIA Omniverse appeared first on NVIDIA Blog.  ( 6 min )

Multi-armed bandit (MAB) algorithms are efficient approaches to reduce the opportunity cost of online experimentation and are used by companies to find the best product from periodically refreshed product catalogs. However, these algorithms face the so-called cold-start at the onset of the experiment due to a lack of knowledge of customer preferences for new products, requiring an initial data collection phase known as the burn-in period. During this period, MAB algorithms operate like randomized experiments, incurring large burn-in costs which scale with the large number of products. We attempt to reduce the burn-in by identifying that many products can be cast into two-sided products, and then naturally model the rewards of the products with a matrix, whose rows and columns represent the two sides respectively. Next, we design two-phase bandit algorithms that first use subsampling and low-rank matrix estimation to obtain a substantially smaller targeted set of products and then apply a UCB procedure on the target products to find the best one. We theoretically show that the proposed algorithms lower costs and expedite the experiment in cases when there is limited experimentation time along with a large product set. Our analysis also reveals three regimes of long, short, and ultra-short horizon experiments, depending on dimensions of the matrix. Empirical evidence from both synthetic data and a real-world dataset on music streaming services validates this superior performance.  ( 3 min )

In Bora et al. (2017), a mathematical framework was developed for compressed sensing guarantees in the setting where the measurement matrix is Gaussian and the signal structure is the range of a generative neural network (GNN). The problem of compressed sensing with GNNs has since been extensively analyzed when the measurement matrix and/or network weights follow a subgaussian distribution. We move beyond the subgaussian assumption, to measurement matrices that are derived by sampling uniformly at random rows of a unitary matrix (including subsampled Fourier measurements as a special case). Specifically, we prove the first known restricted isometry guarantee for generative compressed sensing with subsampled isometries, and provide recovery bounds with nearly order-optimal sample complexity, addressing an open problem of Scarlett et al. (2022, p. 10). Recovery efficacy is characterized by the coherence, a new parameter, which measures the interplay between the range of the network and the measurement matrix. Our approach relies on subspace counting arguments and ideas central to high-dimensional probability. Furthermore, we propose a regularization strategy for training GNNs to have favourable coherence with the measurement operator. We provide compelling numerical simulations that support this regularized training strategy: our strategy yields low coherence networks that require fewer measurements for signal recovery. This, together with our theoretical results, supports coherence as a natural quantity for characterizing generative compressed sensing with subsampled isometries.  ( 3 min )

This paper introduces a new interpretation of the Variational Autoencoder framework by taking a fully geometric point of view. We argue that vanilla VAE models unveil naturally a Riemannian structure in their latent space and that taking into consideration those geometrical aspects can lead to better interpolations and an improved generation procedure. This new proposed sampling method consists in sampling from the uniform distribution deriving intrinsically from the learned Riemannian latent space and we show that using this scheme can make a vanilla VAE competitive and even better than more advanced versions on several benchmark datasets. Since generative models are known to be sensitive to the number of training samples we also stress the method's robustness in the low data regime.  ( 2 min )

We study best-arm identification with a fixed budget and contextual (covariate) information in stochastic multi-armed bandit problems. In each round, after observing contextual information, we choose a treatment arm using past observations and current context. Our goal is to identify the best treatment arm, a treatment arm with the maximal expected reward marginalized over the contextual distribution, with a minimal probability of misidentification. First, we derive semiparametric lower bounds of the misidentification probability for this problem, where we regard the gaps between the expected rewards of the best and suboptimal treatment arms as parameters of interest, and all other parameters, such as the expected rewards conditioned on contexts, as the nuisance parameters. We then develop the ``Contextual RS-AIPW strategy,'' which consists of the random sampling (RS) rule tracking a target allocation ratio and the recommendation rule using the augmented inverse probability weighting (AIPW) estimator. Our proposed Contextual RS-AIPW strategy is optimal because the upper bound for the probability of misidentification by the strategy matches the semiparametric lower bound, when the budget goes to infinity and the gaps converge to zero.  ( 2 min )

The concept of causality plays a significant role in human cognition. In the past few decades, causal inference has been well developed in many fields, such as computer science, medicine, economics, and other industrial applications. With the advancement of deep learning, it has been increasingly applied in causal inference against counterfactual data. Typically, deep causal models map the characteristics of covariates to a representation space and then design various objective functions to estimate counterfactual data unbiasedly. Different from the existing surveys on causal models in machine learning, this paper mainly focuses on the overview of the deep causal models, and its core contributions are as follows: 1) we summarize the popularly adopted relevant metrics under multiple treatments and continuous-dose treatment; 2) we cast insight on a comprehensive overview of deep causal models from both timeline of development and method classification perspectives; 3) we also endeavor to present a detailed categorization and analysis on relevant datasets, source codes and experiments.  ( 2 min )

Synchronous strategies with data parallelism, such as the Synchronous StochasticGradient Descent (S-SGD) and the model averaging methods, are widely utilizedin distributed training of Deep Neural Networks (DNNs), largely owing to itseasy implementation yet promising performance. Particularly, each worker ofthe cluster hosts a copy of the DNN and an evenly divided share of the datasetwith the fixed mini-batch size, to keep the training of DNNs convergence. In thestrategies, the workers with different computational capability, need to wait foreach other because of the synchronization and delays in network transmission,which will inevitably result in the high-performance workers wasting computation.Consequently, the utilization of the cluster is relatively low. To alleviate thisissue, we propose the Dynamic Batch Size (DBS) strategy for the distributedtraining of DNNs. Specifically, the performance of each worker is evaluatedfirst based on the fact in the previous epoch, and then the batch size and datasetpartition are dynamically adjusted in consideration of the current performanceof the worker, thereby improving the utilization of the cluster. To verify theeffectiveness of the proposed strategy, extensive experiments have been conducted,and the experimental results indicate that the proposed strategy can fully utilizethe performance of the cluster, reduce the training time, and have good robustnesswith disturbance by irrelevant tasks. Furthermore, rigorous theoretical analysis hasalso been provided to prove the convergence of the proposed strategy.  ( 3 min )

The workhorse of machine learning is stochastic gradient descent. To access stochastic gradients, it is common to consider iteratively input/output pairs of a training dataset. Interestingly, it appears that one does not need full supervision to access stochastic gradients, which is the main motivation of this paper. After formalizing the "active labeling" problem, which focuses on active learning with partial supervision, we provide a streaming technique that provably minimizes the ratio of generalization error over the number of samples. We illustrate our technique in depth for robust regression.  ( 2 min )

In this article, we employ a collection of stochastic differential equations with drift and diffusion coefficients approximated by neural networks to predict the trend of chaotic time series which has big jump properties. Our contributions are, first, we propose a model called L\'evy induced stochastic differential equation network, which explores compounded stochastic differential equations with $\alpha$-stable L\'evy motion to model complex time series data and solve the problem through neural network approximation. Second, we theoretically prove that the numerical solution through our algorithm converges in probability to the solution of corresponding stochastic differential equation, without curse of dimensionality. Finally, we illustrate our method by applying it to real financial time series data and find the accuracy increases through the use of non-Gaussian L\'evy processes. We also present detailed comparisons in terms of data patterns, various models, different shapes of L\'evy motion and the prediction lengths.  ( 2 min )

In a sequential decision-making problem, off-policy evaluation estimates the expected cumulative reward of a target policy using logged trajectory data generated from a different behavior policy, without execution of the target policy. Reinforcement learning in high-stake environments, such as healthcare and education, is often limited to off-policy settings due to safety or ethical concerns, or inability of exploration. Hence it is imperative to quantify the uncertainty of the off-policy estimate before deployment of the target policy. In this paper, we propose a novel framework that provides robust and optimistic cumulative reward estimates using one or multiple logged trajectories data. Leveraging methodologies from distributionally robust optimization, we show that with proper selection of the size of the distributional uncertainty set, these estimates serve as confidence bounds with non-asymptotic and asymptotic guarantees under stochastic or adversarial environments. Our results are also generalized to batch reinforcement learning and are supported by empirical analysis.  ( 2 min )

As machine learning powered decision making is playing an increasingly important role in our daily lives, it is imperative to strive for fairness of the underlying data processing and algorithms. We propose a pre-processing algorithm for fair data representation via which L2- objective supervised learning algorithms result in an estimation of the Pareto frontier between prediction error and statistical disparity. In particular, the present work applies the optimal positive definite affine transport maps to approach the post-processing Wasserstein barycenter characterization of the optimal fair L2-objective supervised learning via a pre-processing data deformation. We call the resulting data Wasserstein pseudo-barycenter. Furthermore, we show that the Wasserstein geodesics from the learning outcome marginals to the barycenter characterizes the Pareto frontier between L2-loss and total Wasserstein distance among learning outcome marginals. Thereby, an application of McCann interpolation generalizes the pseudo-barycenter to a family of data representations via which L2-objective supervised learning algorithms result in the Pareto frontier. Numerical simulations underscore the advantages of the proposed data representation: (1) the pre-processing step is compositive with arbitrary L2-objective supervised learning methods and unseen data; (2) the fair representation protects data privacy by preventing the training machine from direct or indirect access to the sensitive information of the data; (3) the optimal affine map results in efficient computation of fair supervised learning on high-dimensional data; (4) experimental results shed light on the fairness of L2-objective unsupervised learning via the proposed fair data representation.  ( 3 min )

We adapt previous research on category theory and topological unsupervised learning to develop a functorial perspective on manifold learning, also known as nonlinear dimensionality reduction. We first characterize manifold learning algorithms as functors that map pseudometric spaces to optimization objectives and that factor through hierarchical clustering functors. We then use this characterization to prove refinement bounds on manifold learning loss functions and construct a hierarchy of manifold learning algorithms based on their equivariants. We express several popular manifold learning algorithms as functors at different levels of this hierarchy, including Metric Multidimensional Scaling, IsoMap, and UMAP. Next, we use interleaving distance to study the stability of a broad class of manifold learning algorithms. We present bounds on how closely the embeddings these algorithms produce from noisy data approximate the embeddings they would learn from noiseless data. Finally, we use our framework to derive a set of novel manifold learning algorithms, which we experimentally demonstrate are competitive with the state of the art.  ( 3 min )

We develop inductive biases for the machine learning of complex physical systems based on the port-Hamiltonian formalism. To satisfy by construction the principles of thermodynamics in the learned physics (conservation of energy, non-negative entropy production), we modify accordingly the port-Hamiltonian formalism so as to achieve a port-metriplectic one. We show that the constructed networks are able to learn the physics of complex systems by parts, thus alleviating the burden associated to the experimental characterization and posterior learning process of this kind of systems. Predictions can be done, however, at the scale of the complete system. Examples are shown on the performance of the proposed technique.  ( 2 min )

The central objective function of a variational autoencoder (VAE) is its variational lower bound (the ELBO). Here we show that for standard (i.e., Gaussian) VAEs the ELBO converges to a value given by the sum of three entropies: the (negative) entropy of the prior distribution, the expected (negative) entropy of the observable distribution, and the average entropy of the variational distributions (the latter is already part of the ELBO). Our derived analytical results are exact and apply for small as well as for intricate deep networks for encoder and decoder. Furthermore, they apply for finitely and infinitely many data points and at any stationary point (including local maxima and saddle points). The result implies that the ELBO can for standard VAEs often be computed in closed-form at stationary points while the original ELBO requires numerical approximations of integrals. As a main contribution, we provide the proof that the ELBO for VAEs is at stationary points equal to entropy sums. Numerical experiments then show that the obtained analytical results are sufficiently precise also in those vicinities of stationary points that are reached in practice. Furthermore, we discuss how the novel entropy form of the ELBO can be used to analyze and understand learning behavior. More generally, we believe that our contributions can be useful for future theoretical and practical studies on VAE learning as they provide novel information on those points in parameters space that optimization of VAEs converges to.  ( 3 min )

The core operation of current Graph Neural Networks (GNNs) is the aggregation enabled by the graph Laplacian or message passing, which filters the neighborhood node information. Though effective for various tasks, in this paper, we show that they are potentially a problematic factor underlying all GNN methods for learning on certain datasets, as they force the node representations similar, making the nodes gradually lose their identity and become indistinguishable. Hence, we augment the aggregation operations with their dual, i.e. diversification operators that make the node more distinct and preserve the identity. Such augmentation replaces the aggregation with a two-channel filtering process that, in theory, is beneficial for enriching the node representations. In practice, the proposed two-channel filters can be easily patched on existing GNN methods with diverse training strategies, including spectral and spatial (message passing) methods. In the experiments, we observe desired characteristics of the models and significant performance boost upon the baselines on 9 node classification tasks.  ( 2 min )

Distributing machine learning predictors enables the collection of large-scale datasets while leaving sensitive raw data at trustworthy sites. We show that locally training support vector machines (SVMs) and computing their averages leads to a learning technique that is scalable to a large number of users, satisfies differential privacy, and is applicable to non-trivial tasks, such as CIFAR-10. For a large number of participants, communication cost is one of the main challenges. We achieve a low communication cost by requiring only a single invocation of an efficient secure multiparty summation protocol. By relying on state-of-the-art feature extractors (SimCLR), we are able to utilize differentially private convex learners for non-trivial tasks such as CIFAR-10. Our experimental results illustrate that for $1{,}000$ users with $50$ data points each, our scheme outperforms state-of-the-art scalable distributed learning methods (differentially private federated learning, short DP-FL) while requiring around $500$ times fewer communication costs: For CIFAR-10, we achieve a classification accuracy of $79.7\,\%$ for an $\varepsilon = 0.59$ while DP-FL achieves $57.6\,\%$. More generally, we prove learnability properties for the average of such locally trained models: convergence and uniform stability. By only requiring strongly convex, smooth, and Lipschitz-continuous objective functions, locally trained via stochastic gradient descent (SGD), we achieve a strong utility-privacy tradeoff.  ( 2 min )

Graph Neural Networks (GNNs) are powerful deep learning methods for Non-Euclidean data. Popular GNNs are message-passing algorithms (MPNNs) that aggregate and combine signals in a local graph neighborhood. However, shallow MPNNs tend to miss long-range signals and perform poorly on some heterophilous graphs, while deep MPNNs can suffer from issues like over-smoothing or over-squashing. To mitigate such issues, existing works typically borrow normalization techniques from training neural networks on Euclidean data or modify the graph structures. Yet these approaches are not well-understood theoretically and could increase the overall computational complexity. In this work, we draw inspirations from spectral graph embedding and propose $\texttt{PowerEmbed}$ -- a simple layer-wise normalization technique to boost MPNNs. We show $\texttt{PowerEmbed}$ can provably express the top-$k$ leading eigenvectors of the graph operator, which prevents over-smoothing and is agnostic to the graph topology; meanwhile, it produces a list of representations ranging from local features to global signals, which avoids over-squashing. We apply $\texttt{PowerEmbed}$ in a wide range of simulated and real graphs and demonstrate its competitive performance, particularly for heterophilous graphs.  ( 2 min )

Science consists on conceiving hypotheses, confronting them with empirical evidence, and keeping only hypotheses which have not yet been falsified. Under deductive reasoning they are conceived in view of a theory and confronted with empirical evidence in an attempt to falsify it, and under inductive reasoning they are conceived based on observation, confronted with empirical evidence and a theory is established based on the not falsified hypotheses. When the hypotheses testing can be performed with quantitative data, the confrontation can be achieved with Machine Learning methods, whose quality is highly dependent on the hypotheses' complexity, hence on the proper insertion of prior information into the set of hypotheses seeking to decrease its complexity without loosing good hypotheses. However, Machine Learning tools have been applied under the pragmatic view of instrumentalism, which is concerned only with the performance of the methods and not with the understanding of their behavior, leading to methods which are not fully understood. In this context, we discuss how prior information and computational power can be employed to solve a learning problem, but while prior information and a careful design of the hypotheses space has as advantage the interpretability of the results, employing high computational power has the advantage of a higher performance. We discuss why learning methods which combine both should work better from an understanding and performance perspective, arguing in favor of basic theoretical research on Machine Learning, in special about how properties of classifiers may be identified in parameters of modern learning models.  ( 3 min )

A/B testing, or online experiment is a standard business strategy to compare a new product with an old one in pharmaceutical, technological, and traditional industries. Major challenges arise in online experiments of two-sided marketplace platforms (e.g., Uber) where there is only one unit that receives a sequence of treatments over time. In those experiments, the treatment at a given time impacts current outcome as well as future outcomes. The aim of this paper is to introduce a reinforcement learning framework for carrying A/B testing in these experiments, while characterizing the long-term treatment effects. Our proposed testing procedure allows for sequential monitoring and online updating. It is generally applicable to a variety of treatment designs in different industries. In addition, we systematically investigate the theoretical properties (e.g., size and power) of our testing procedure. Finally, we apply our framework to both simulated data and a real-world data example obtained from a technological company to illustrate its advantage over the current practice. A Python implementation of our test is available at https://github.com/callmespring/CausalRL.  ( 3 min )

Testing the significance of a variable or group of variables $X$ for predicting a response $Y$, given additional covariates $Z$, is a ubiquitous task in statistics. A simple but common approach is to specify a linear model, and then test whether the regression coefficient for $X$ is non-zero. However, when the model is misspecified, the test may have poor power, for example when $X$ is involved in complex interactions, or lead to many false rejections. In this work we study the problem of testing the model-free null of conditional mean independence, i.e. that the conditional mean of $Y$ given $X$ and $Z$ does not depend on $X$. We propose a simple and general framework that can leverage flexible nonparametric or machine learning methods, such as additive models or random forests, to yield both robust error control and high power. The procedure involves using these methods to perform regressions, first to estimate a form of projection of $Y$ on $X$ and $Z$ using one half of the data, and then to estimate the expected conditional covariance between this projection and $Y$ on the remaining half of the data. While the approach is general, we show that a version of our procedure using spline regression achieves what we show is the minimax optimal rate in this nonparametric testing problem. Numerical experiments demonstrate the effectiveness of our approach both in terms of maintaining Type I error control, and power, compared to several existing approaches.  ( 3 min )

The ongoing transition from a linear (produce-use-dispose) to a circular economy poses significant challenges to current state-of-the-art information and communication technologies. In particular, the derivation of integrated, high-level views on material, process, and product streams from (real-time) data produced along value chains is challenging for several reasons. Most importantly, sufficiently rich data is often available yet not shared across company borders because of privacy concerns which make it impossible to build integrated process models that capture the interrelations between input materials, process parameters, and key performance indicators along value chains. In the current contribution, we propose a privacy-preserving, federated multivariate statistical process control (FedMSPC) framework based on Federated Principal Component Analysis (PCA) and Secure Multiparty Computation to foster the incentive for closer collaboration of stakeholders along value chains. We tested our approach on two industrial benchmark data sets - SECOM and ST-AWFD. Our empirical results demonstrate the superior fault detection capability of the proposed approach compared to standard, single-party (multiway) PCA. Furthermore, we showcase the possibility of our framework to provide privacy-preserving fault diagnosis to each data holder in the value chain to underpin the benefits of secure data sharing and federated process modeling.  ( 2 min )

For first-order smooth optimization, the research on the acceleration phenomenon has a long-time history. Until recently, the mechanism leading to acceleration was not successfully uncovered by the gradient correction term and its equivalent implicit-velocity form. Furthermore, based on the high-resolution differential equation framework with the corresponding emerging techniques, phase-space representation and Lyapunov function, the squared gradient norm of Nesterov's accelerated gradient descent (\texttt{NAG}) method at an inverse cubic rate is discovered. However, this result cannot be directly generalized to composite optimization widely used in practice, e.g., the linear inverse problem with sparse representation. In this paper, we meticulously observe a pivotal inequality used in composite optimization about the step size $s$ and the Lipschitz constant $L$ and find that it can be improved tighter. We apply the tighter inequality discovered in the well-constructed Lyapunov function and then obtain the proximal subgradient norm minimization by the phase-space representation, regardless of gradient-correction or implicit-velocity. Furthermore, we demonstrate that the squared proximal subgradient norm for the class of iterative shrinkage-thresholding algorithms (ISTA) converges at an inverse square rate, and the squared proximal subgradient norm for the class of faster iterative shrinkage-thresholding algorithms (FISTA) is accelerated to convergence at an inverse cubic rate.  ( 2 min )

With the rise of the digital economy and an explosion of available information about consumers, effective personalization of goods and services has become a core business focus for companies to improve revenues and maintain a competitive edge. This paper studies the personalization problem through the lens of policy learning, where the goal is to learn a decision-making rule (a policy) that maps from consumer and product characteristics (features) to recommendations (actions) in order to optimize outcomes (rewards). We focus on using available historical data for offline learning with unknown data collection procedures, where a key challenge is the non-random assignment of recommendations. Moreover, in many business and medical applications, interpretability of a policy is essential. We study the class of policies with linear decision boundaries to ensure interpretability, and propose learning algorithms using tools from causal inference to address unbalanced treatments. We study several optimization schemes to solve the associated non-convex, non-smooth optimization problem, and find that a Bayesian optimization algorithm is effective. We test our algorithm with extensive simulation studies and apply it to an anonymized online marketplace customer purchase dataset, where the learned policy outputs a personalized discount recommendation based on customer and product features in order to maximize gross merchandise value (GMV) for sellers. Our learned policy improves upon the platform's baseline by 88.2\% in net sales revenue, while also providing informative insights on which features are important for the decision-making process. Our findings suggest that our proposed policy learning framework using tools from causal inference and Bayesian optimization provides a promising practical approach to interpretable personalization across a wide range of applications.

This paper studies the learning of linear operators between infinite-dimensional Hilbert spaces. The training data comprises pairs of random input vectors in a Hilbert space and their noisy images under an unknown self-adjoint linear operator. Assuming that the operator is diagonalizable in a known basis, this work solves the equivalent inverse problem of estimating the operator's eigenvalues given the data. Adopting a Bayesian approach, the theoretical analysis establishes posterior contraction rates in the infinite data limit with Gaussian priors that are not directly linked to the forward map of the inverse problem. The main results also include learning-theoretic generalization error guarantees for a wide range of distribution shifts. These convergence rates quantify the effects of data smoothness and true eigenvalue decay or growth, for compact or unbounded operators, respectively, on sample complexity. Numerical evidence supports the theory in diagonal and non-diagonal settings.

This work proposes a universal and adaptive second-order method for minimizing second-order smooth, convex functions. Our algorithm achieves $O(\sigma / \sqrt{T})$ convergence when the oracle feedback is stochastic with variance $\sigma^2$, and improves its convergence to $O( 1 / T^3)$ with deterministic oracles, where $T$ is the number of iterations. Our method also interpolates these rates without knowing the nature of the oracle apriori, which is enabled by a parameter-free adaptive step-size that is oblivious to the knowledge of smoothness modulus, variance bounds and the diameter of the constrained set. To our knowledge, this is the first universal algorithm with such global guarantees within the second-order optimization literature.  ( 2 min )

In this paper, $2 \times 2$ zero-sum games (ZSGs) are studied under the following assumptions: (1) One of the players (the leader) publicly and irrevocably commits to choose its actions by sampling a given probability measure (strategy);(2) The leader announces its action, which is observed by its opponent (the follower) through a binary channel; and (3) the follower chooses its strategy based on the knowledge of the leader's strategy and the noisy observation of the leader's action. Under these conditions, the equilibrium is shown to always exist and be often different from the Nash and Stackelberg equilibria. Even subject to noise, observing the actions of the leader is either beneficial or immaterial to the follower for all possible commitments. When the commitment is observed subject to a distortion, the equilibrium does not necessarily exist. Nonetheless, the leader might still obtain some benefit in some specific cases subject to equilibrium refinements. For instance, $\epsilon$-equilibria might exist in which the leader commits to suboptimal strategies that allow unequivocally predicting the best response of its opponent.  ( 2 min )

In the infinite-armed bandit problem, each arm's average reward is sampled from an unknown distribution, and each arm can be sampled further to obtain noisy estimates of the average reward of that arm. Prior work focuses on identifying the best arm, i.e., estimating the maximum of the average reward distribution. We consider a general class of distribution functionals beyond the maximum, and propose unified meta algorithms for both the offline and online settings, achieving optimal sample complexities. We show that online estimation, where the learner can sequentially choose whether to sample a new or existing arm, offers no advantage over the offline setting for estimating the mean functional, but significantly reduces the sample complexity for other functionals such as the median, maximum, and trimmed mean. The matching lower bounds utilize several different Wasserstein distances. For the special case of median estimation, we identify a curious thresholding phenomenon on the indistinguishability between Gaussian convolutions with respect to the noise level, which may be of independent interest.  ( 2 min )

A metric tensor for Riemann manifold Monte Carlo particularly suited for non-linear Bayesian hierarchical models is proposed. The metric tensor is built from here proposed symmetric positive semidefinite log-density gradient covariance (LGC) matrices. The LGCs measure the joint information content and dependence structure of both a random variable and the parameters of said variable. The proposed methodology is highly automatic and allows for exploitation of any sparsity associated with the model in question. When implemented in conjunction with a Riemann manifold variant of the recently proposed numerical generalized randomized Hamiltonian Monte Carlo processes, the proposed methodology is highly competitive, in particular for the more challenging target distributions associated with Bayesian hierarchical models.  ( 2 min )

We present the GPry algorithm for fast Bayesian inference of general (non-Gaussian) posteriors with a moderate number of parameters. GPry does not need any pre-training, special hardware such as GPUs, and is intended as a drop-in replacement for traditional Monte Carlo methods for Bayesian inference. Our algorithm is based on generating a Gaussian Process surrogate model of the log-posterior, aided by a Support Vector Machine classifier that excludes extreme or non-finite values. An active learning scheme allows us to reduce the number of required posterior evaluations by two orders of magnitude compared to traditional Monte Carlo inference. Our algorithm allows for parallel evaluations of the posterior at optimal locations, further reducing wall-clock times. We significantly improve performance using properties of the posterior in our active learning scheme and for the definition of the GP prior. In particular we account for the expected dynamical range of the posterior in different dimensionalities. We test our model against a number of synthetic and cosmological examples. GPry outperforms traditional Monte Carlo methods when the evaluation time of the likelihood (or the calculation of theoretical observables) is of the order of seconds; for evaluation times of over a minute it can perform inference in days that would take months using traditional methods. GPry is distributed as an open source Python package (pip install gpry) and can also be found at https://github.com/jonaselgammal/GPry.  ( 3 min )

The counterfactual distribution models the effect of the treatment in the untreated group. While most of the work focuses on the expected values of the treatment effect, one may be interested in the whole counterfactual distribution or other quantities associated to it. Building on the framework of Bayesian conditional mean embeddings, we propose a Bayesian approach for modeling the counterfactual distribution, which leads to quantifying the epistemic uncertainty about the distribution. The framework naturally extends to the setting where one observes multiple treatment effects (e.g. an intermediate effect after an interim period, and an ultimate treatment effect which is of main interest) and allows for additionally modelling uncertainty about the relationship of these effects. For such goal, we present three novel Bayesian methods to estimate the expectation of the ultimate treatment effect, when only noisy samples of the dependence between intermediate and ultimate effects are provided. These methods differ on the source of uncertainty considered and allow for combining two sources of data. Moreover, we generalize these ideas to the off-policy evaluation framework, which can be seen as an extension of the counterfactual estimation problem. We empirically explore the calibration of the algorithms in two different experimental settings which require data fusion, and illustrate the value of considering the uncertainty stemming from the two sources of data.  ( 2 min )

We study sample efficient reinforcement learning (RL) under the general framework of interactive decision making, which includes Markov decision process (MDP), partially observable Markov decision process (POMDP), and predictive state representation (PSR) as special cases. Toward finding the minimum assumption that empowers sample efficient learning, we propose a novel complexity measure, generalized eluder coefficient (GEC), which characterizes the fundamental tradeoff between exploration and exploitation in online interactive decision making. In specific, GEC captures the hardness of exploration by comparing the error of predicting the performance of the updated policy with the in-sample training error evaluated on the historical data. We show that RL problems with low GEC form a remarkably rich class, which subsumes low Bellman eluder dimension problems, bilinear class, low witness rank problems, PO-bilinear class, and generalized regular PSR, where generalized regular PSR, a new tractable PSR class identified by us, includes nearly all known tractable POMDPs. Furthermore, in terms of algorithm design, we propose a generic posterior sampling algorithm, which can be implemented in both model-free and model-based fashion, under both fully observable and partially observable settings. The proposed algorithm modifies the standard posterior sampling algorithm in two aspects: (i) we use an optimistic prior distribution that biases towards hypotheses with higher values and (ii) a loglikelihood function is set to be the empirical loss evaluated on the historical data, where the choice of loss function supports both model-free and model-based learning. We prove that the proposed algorithm is sample efficient by establishing a sublinear regret upper bound in terms of GEC. In summary, we provide a new and unified understanding of both fully observable and partially observable RL.  ( 3 min )

The construction of a meaningful hypergraph topology is the key to processing signals with high-order relationships that involve more than two entities. Learning the hypergraph structure from the observed signals to capture the intrinsic relationships among the entities becomes crucial when a hypergraph topology is not readily available in the datasets. There are two challenges that lie at the heart of this problem: 1) how to handle the huge search space of potential hyperedges, and 2) how to define meaningful criteria to measure the relationship between the signals observed on nodes and the hypergraph structure. In this paper, to address the first challenge, we adopt the assumption that the ideal hypergraph structure can be derived from a learnable graph structure that captures the pairwise relations within signals. Further, we propose a hypergraph learning framework with a novel dual smoothness prior that reveals a mapping between the observed node signals and the hypergraph structure, whereby each hyperedge corresponds to a subgraph with both node signal smoothness and edge signal smoothness in the learnable graph structure. Finally, we conduct extensive experiments to evaluate the proposed framework on both synthetic and real world datasets. Experiments show that our proposed framework can efficiently infer meaningful hypergraph topologies from observed signals.  ( 2 min )

Bayesian methods of sampling from a posterior distribution are becoming increasingly popular due to their ability to precisely display the uncertainty of a model fit. Classical methods based on iterative random sampling and posterior evaluation such as Metropolis-Hastings are known to have desirable long run mixing properties, however are slow to converge. Gradient based methods, such as Langevin Dynamics (and its stochastic gradient counterpart) exhibit favorable dimension-dependence and fast mixing times for log-concave, and "close" to log-concave distributions, however also have long escape times from local minimizers. Many contemporary applications such as Bayesian Neural Networks are both high-dimensional and highly multimodal. In this paper we investigate the performance of a hybrid Metropolis and Langevin sampling method akin to Jump Diffusion on a range of synthetic and real data, indicating that careful calibration of mixing sampling jumps with gradient based chains significantly outperforms both pure gradient-based or sampling based schemes.  ( 2 min )